Theoretical and Computational Nanoscience

Group Leader: Stephan Roche

Stephan Roche

ICREA Research Professor

Group Leader

Prof. Stephan Roche is a theoretician with more than 25 years’ experience in the study of transport theory in low-dimensional systems, including graphene, carbon nanotubes, semiconducting nanowires, organic materials and topological insulators.

He has published more than 250 papers in journals such as Nature, Review of Modern Physics, Nature Physics, Nano Letters and Physical Review Letters and he is the co-author of the book titled “Introduction to Graphene-Based Nanomaterials: From Electronic Structure to Quantum Transport” (Cambridge University Press, 2020-second edition).

He received the qualification to supervise PhD students from the Université Joseph Fourier (Grenoble, France) in 2004, and since then he has supervised more than ten PhD students and about 25 postdoctoral researchers in France, Germany and Spain. In 2009 Prof. Roche was awarded the Friedrich Wilhelm Bessel Research Award by the Alexander Von-Humboldt Foundation (Germany) and, since 2011, he has been actively involved in the European Graphene Flagship project as deputy leader of the Spintronics Work Package (WP). He is serving as leader of this WP since April 2020 and will continue until March 2023. He is also Division Leader of the Graphene Flagship.



  • Emerging properties of non-crystalline phases of graphene and boron nitride based materials

    Antidormi A., Colombo L., Roche S. Nano Materials Science; 4 (1): 10 - 17. 2022. 10.1016/j.nanoms.2021.03.003. IF: 0.000

  • Giant valley-polarized spin splittings in magnetized Janus Pt dichalcogenides

    Sattar S., Larsson J.A., Canali C.M., Roche S., Garcia J.H. Physical Review B; 105 (4, A100) 2022. 10.1103/PhysRevB.105.L041402. IF: 4.036

  • Have mysterious topological valley currents been observed in graphene superlattices?

    Roche S., Power S.R., Nikolić B.K., García J.H., Jauho A.-P. JPhys Materials; 5 (2, 021001) 2022. 10.1088/2515-7639/ac452a. IF: 0.000

  • Magnetism, symmetry and spin transport in van der Waals layered systems

    Kurebayashi H., Garcia J.H., Khan S., Sinova J., Roche S. Nature Reviews Physics; 4 (3): 150 - 166. 2022. 10.1038/s42254-021-00403-5. IF: 31.068

  • Manipulation of spin transport in graphene/transition metal dichalcogenide heterobilayers upon twisting

    Pezo A., Zanolli Z., Wittemeier N., Ordejón P., Fazzio A., Roche S., Garcia J.H. 2D Materials; 9 (1, 015008) 2022. 10.1088/2053-1583/ac3378. IF: 7.103

  • Toward Optimized Charge Transport in Multilayer Reduced Graphene Oxides

    Çlnar M.N., Antidormi A., Nguyen V.-H., Kovtun A., Lara-Avila S., Liscio A., Charlier J.-C., Roche S., Sevinçli H. Nano Letters; 22 (6): 2202 - 2208. 2022. 10.1021/acs.nanolett.1c03883. IF: 11.189


  • Advanced Data Encryption ​using 2D Materials

    Wen C., Li X., Zanotti T., Puglisi F.M., Shi Y., Saiz F., Antidormi A., Roche S., Zheng W., Liang X., Hu J., Duhm S., Roldan J.B., Wu T., Chen V., Pop E., Garrido B., Zhu K., Hui F., Lanza M. Advanced Materials; 33 (27, 2100185) 2021. 10.1002/adma.202100185. IF: 30.849

  • Control of spin-charge conversion in van der Waals heterostructures

    Galceran R., Tian B., Li J., Bonell F., Jamet M., Vergnaud C., Marty A., García J.H., Sierra J.F., Costache M.V., Roche S., Valenzuela S.O., Manchon A., Zhang X., Schwingenschlögl U. APL Materials; 9 (10, 100901) 2021. 10.1063/5.0054865. IF: 5.096

  • Graphene on two-dimensional hexagonal BN, AlN, and GaN: Electronic, spin-orbit, and spin relaxation properties

    Zollner K., Cummings A.W., Roche S., Fabian J. Physical Review B; 103 (7, 075129) 2021. 10.1103/PhysRevB.103.075129. IF: 4.036

  • Hinge Spin Polarization in Magnetic Topological Insulators Revealed by Resistance Switch

    Perez-Piskunow P.M., Roche S. Physical Review Letters; 126 (16, 167701) 2021. 10.1103/PhysRevLett.126.167701. IF: 9.161

  • Janus monolayers of magnetic transition metal dichalcogenides as an all-in-one platform for spin-orbit torque

    Smaili I., Laref S., Garcia J.H., Schwingenschlögl U., Roche S., Manchon A. Physical Review B; 104 (10, 104415) 2021. 10.1103/PhysRevB.104.104415. IF: 4.036

  • Linear scaling quantum transport methodologies

    Fan Z., Garcia J.H., Cummings A.W., Barrios-Vargas J.E., Panhans M., Harju A., Ortmann F., Roche S. Physics Reports; 903: 1 - 69. 2021. 10.1016/j.physrep.2020.12.001. IF: 25.600

  • Low-symmetry topological materials for large charge-to-spin interconversion: The case of transition metal dichalcogenide monolayers

    Vila M., Hsu C.-H., Garcia J.H., Benítez L.A., Waintal X., Valenzuela S.O., Pereira V.M., Roche S. Physical Review Research; 3 (4, 043230) 2021. 10.1103/PhysRevResearch.3.043230. IF: 0.000

  • Observation of giant and tunable thermal diffusivity of a Dirac fluid at room temperature

    Block A., Principi A., Hesp N.C.H., Cummings A.W., Liebel M., Watanabe K., Taniguchi T., Roche S., Koppens F.H.L., van Hulst N.F., Tielrooij K.-J. Nature Nanotechnology; 16 (11): 1195 - 1200. 2021. 10.1038/s41565-021-00957-6. IF: 39.213

  • Reply to: On the measured dielectric constant of amorphous boron nitride

    Hong S., Lee M.-H., Kim S.W., Lee C.-S., Ma K.Y., Kim G., Yoon S.I., Antidormi A., Roche S., Shin H.-J., Chhowalla M., Shin H.S. Nature; 590 (7844): E8 - E10. 2021. 10.1038/s41586-020-03163-x. IF: 49.962

  • Room-temperature tunnel magnetoresistance across biomolecular tunnel junctions based on ferritin

    Karuppannan S.K., Pasula R.R., Herng T.S., Ding J., Chi X., Barco E.D., Roche S., Yu X., Yakovlev N., Lim S., Nijhuis C.A. JPhys Materials; 4 (3, 035003) 2021. 10.1088/2515-7639/abfa79. IF: 0.000

  • Thermal transport in amorphous graphene with varying structural quality

    Antidormi A., Colombo L., Roche S. 2D Materials; 8 (1, 015028) 2021. 10.1088/2053-1583/abc7f8. IF: 7.103

  • Valley Hall effect and nonlocal resistance in locally gapped graphene

    Aktor T., Garcia J.H., Roche S., Jauho A.-P., Power S.R. Physical Review B; 103 (11, 115406) 2021. 10.1103/PhysRevB.103.115406. IF: 4.036

  • Valley-polarized quantum anomalous Hall phase in bilayer graphene with layer-dependent proximity effects

    Vila M., Garcia J.H., Roche S. Physical Review B; 104 (16, A84) 2021. 10.1103/PhysRevB.104.L161113. IF: 4.036

  • Van der Waals heterostructures for spintronics and opto-spintronics

    Sierra J.F., Fabian J., Kawakami R.K., Roche S., Valenzuela S.O. Nature Nanotechnology; 16 (8): 856 - 868. 2021. 10.1038/s41565-021-00936-x. IF: 39.213


  • Blue emission at atomically sharp 1D heterojunctions between graphene and h-BN

    Kim G., Ma K.Y., Park M., Kim M., Jeon J., Song J., Barrios-Vargas J.E., Sato Y., Lin Y.-C., Suenaga K., Roche S., Yoo S., Sohn B.-H., Jeon S., Shin H.S. Nature Communications; 11 (1, 5359) 2020. 10.1038/s41467-020-19181-2. IF: 12.121

  • Canted Persistent Spin Texture and Quantum Spin Hall Effect in WTe2

    Garcia J.H., Vila M., Hsu C.-H., Waintal X., Pereira V.M., Roche S. Physical Review Letters; 125 (25, 256603) 2020. 10.1103/PhysRevLett.125.256603. IF: 8.385

  • Efficient machine-learning based interatomic potentialsfor exploring thermal conductivity in two-dimensional materials

    Bohayra Mortazavi, V Evgeny Podryabinkin, Ivan S Novikov, Stephan Roche, Timon Rabczuk,Xiaoying Zhuang; V Alexander Shapeev Journal of Physics-Materials; 3 (2, 02LT02) 2020. 10.1088/2515-7639/ab7cbb. IF: 0.000

  • Emergence of intraparticle entanglement and time-varying violation of Bell's inequality in Dirac matter

    De Moraes B.G., Cummings A.W., Roche S. Physical Review B; 102 (4, 041403) 2020. 10.1103/PhysRevB.102.041403. IF: 3.575

  • Exploring event horizons and Hawking radiation through deformed graphene membranes

    Morresi T., Binosi D., Simonucci S., Piergallini R., Roche S., Pugno N.M., Simone T. 2D Materials; 7 (4, 041006) 2020. 10.1088/2053-1583/aba448. IF: 7.140

  • Exploring phononic properties of two-dimensional materials using machine learning interatomic potentials

    Mortazavi B., Novikov I.S., Podryabinkin E.V., Roche S., Rabczuk T., Shapeev A.V., Zhuang X. Applied Materials Today; 20 (100685) 2020. 10.1016/j.apmt.2020.100685. IF: 8.352

  • Impact of oxidation morphology on reduced graphene oxides upon thermal annealing

    Aleandro Antidormi, Stephan Roche, Luciano Colombo Journal Of Physics-Materials; 3 (1, 15011) 2020. 10.1088/2515-7639/ab5ef2. IF: 0.000

  • Machine-learning interatomic potentials enable first-principles multiscale modeling of lattice thermal conductivity in graphene/borophene heterostructures

    Mortazavi B., Podryabinkin E.V., Roche S., Rabczuk T., Zhuang X., Shapeev A.V. Materials Horizons; 7 (9): 2359 - 2367. 2020. 10.1039/d0mh00787k. IF: 12.319

  • Magnetic proximity in a van der Waals heterostructure of magnetic insulator and graphene

    Karpiak B., Cummings A.W., Zollner K., Vila M., Khokhriakov D., Hoque A.M., Dankert A., Svedlindh P., Fabian J., Roche S., Dash S.P. 2D Materials; 7 (1, 015026) 2020. 10.1088/2053-1583/ab5915. IF: 7.140

  • Magnetism, spin dynamics, and quantum transport in two-dimensional systems

    Savero Torres W., Sierra J.F., Benítez L.A., Bonell F., García J.H., Roche S., Valenzuela S.O. MRS Bulletin; 45 (5): 357 - 365. 2020. 10.1557/mrs.2020.121. IF: 5.061

  • Nonlocal Spin Dynamics in the Crossover from Diffusive to Ballistic Transport

    Vila M., Garcia J.H., Cummings A.W., Power S.R., Groth C.W., Waintal X., Roche S. Physical Review Letters; 124 (19, 196602) 2020. 10.1103/PhysRevLett.124.196602. IF: 8.385

  • Optimization of the sensitivity of a double-dot magnetic detector

    Macucci M., Marconcini P., Roche S. Electronics (Switzerland); 9 (7, 1134): 1 - 13. 2020. 10.3390/electronics9071134. IF: 2.412

  • The 2021 quantum materials roadmap

    Giustino F., Lee J.H., Trier F., Bibes M., Winter S.M., Valentí R., Son Y.-W., Taillefer L., Heil C., Figueroa A.I., Plaçais B., Wu Q., Yazyev O.V., Bakkers E.P.A.M., Nygård J., Forn-Díaz P., de Franceschi S., McIver J.W., Foa Torres L.E.F., Low T., Kumar A., Galceran R., Valenzuela S.O., Costache M.V., Manchon A., Kim E.-A., Schleder G.R., Fazzio A., Roche S. JPhys Materials; 3 (4, 042006) 2020. 10.1088/2515-7639/abb74e. IF: 0.000

  • Tunable room-temperature spin galvanic and spin Hall effects in van der Waals heterostructures

    Benítez L.A., Savero Torres W., Sierra J.F., Timmermans M., Garcia J.H., Roche S., Costache M.V., Valenzuela S.O. Nature Materials; 19 (2): 170 - 175. 2020. 10.1038/s41563-019-0575-1. IF: 38.663

  • Ultralow-dielectric-constant amorphous boron nitride

    Hong S., Lee C.-S., Lee M.-H., Lee Y., Ma K.Y., Kim G., Yoon S.I., Ihm K., Kim K.-J., Shin T.J., Kim S.W., Jeon E.-C., Jeon H., Kim J.-Y., Lee H.-I., Lee Z., Antidormi A., Roche S., Chhowalla M., Shin H.-J., Shin H.S. Nature; 582 (7813): 511 - 514. 2020. 10.1038/s41586-020-2375-9. IF: 42.779


  • Green function, quasi-classical Langevin and Kubo-Greenwood methods in quantum thermal transport

    Sevinçli H., Roche S., Cuniberti G., Brandbyge M., Gutierrez R., Sandonas L.M. Journal of Physics Condensed Matter; 31 (27, 273003) 2019. 10.1088/1361-648X/ab119a. IF: 2.711

  • Nonvolatile Memories Based on Graphene and Related 2D Materials

    Bertolazzi S., Bondavalli P., Roche S., San T., Choi S.-Y., Colombo L., Bonaccorso F., Samorì P. Advanced Materials; 31 (10, 1806663) 2019. 10.1002/adma.201806663. IF: 25.809

  • Room-Temperature Spin Hall Effect in Graphene/MoS 2 van der Waals Heterostructures

    Safeer C.K., Ingla-Aynés J., Herling F., Garcia J.H., Vila M., Ontoso N., Calvo M.R., Roche S., Hueso L.E., Casanova F. Nano Letters; 2019. 10.1021/acs.nanolett.8b04368. IF: 12.279

  • The phase diagram of 2D antiferromagnets

    Valenzuela S.O., Roche S. Nature Nanotechnology; 14 (12): 1088 - 1089. 2019. 10.1038/s41565-019-0592-x. IF: 33.407

  • Tunable circular dichroism and valley polarization in the modified Haldane model

    Vila M., Hung N.T., Roche S., Saito R. Physical Review B; 99 (16, 161404) 2019. 10.1103/PhysRevB.99.161404. IF: 3.736

  • Universal Spin Diffusion Length in Polycrystalline Graphene

    Cummings A.W., Dubois S.M.-M., Charlier J.-C., Roche S. Nano Letters; 19 (10): 7418 - 7426. 2019. 10.1021/acs.nanolett.9b03112. IF: 12.279


  • 1D ferromagnetic edge contacts to 2D graphene/h-BN heterostructures

    Karpiak B., Dankert A., Cummings A.W., Power S.R., Roche S., Dash S.P. 2D Materials; 5 (1, 014001) 2018. 10.1088/2053-1583/aa8d2b. IF: 7.042

  • Ballistic tracks in graphene nanoribbons

    Aprojanz J., Power S.R., Bampoulis P., Roche S., Jauho A.-P., Zandvliet H.J.W., Zakharov A.A., Tegenkamp C. Nature Communications; 9 (1, 4426) 2018. 10.1038/s41467-018-06940-5. IF: 12.353

  • Effect of the channel length on the transport characteristics of transistors based on boron-doped graphene ribbons

    Marconcini P., Cresti A., Roche S. Materials; 11 (5, 667) 2018. 10.3390/ma11050667. IF: 2.467

  • Sensing ion channel in neuron networks with graphene field effect transistors

    Veliev F., Cresti A., Kalita D., Bourrier A., Belloir T., Briançon-Marjollet A., Albrieux M., Roche S., Bouchiat V., Delacour C. 2D Materials; 5 (4, 045020) 2018. 10.1088/2053-1583/aad78f. IF: 7.042

  • Spin Proximity Effects in Graphene/Topological Insulator Heterostructures

    Song K., Soriano D., Cummings A.W., Robles R., Ordejón P., Roche S. Nano Letters; 18 (3): 2033 - 2039. 2018. 10.1021/acs.nanolett.7b05482. IF: 12.080

  • Spin transport in graphene/transition metal dichalcogenide heterostructures

    Garcia J.H., Vila M., Cummings A.W., Roche S. Chemical Society Reviews; 47 (9): 3359 - 3379. 2018. 10.1039/c7cs00864c. IF: 40.182

  • Tailoring emergent spin phenomena in Dirac material heterostructures

    Khokhriakov D., Cummings A.W., Song K., Vila M., Karpiak B., Dankert A., Roche S., Dash S.P. Science Advances; 4 (9, aat9349) 2018. 10.1126/sciadv.aat9349. IF: 11.511

  • Unequivocal signatures of the crossover to Anderson localization in realistic models of disordered quasi-one-dimensional materials

    Lopez-Bezanilla A., Froufe-Pérez L.S., Roche S., Sáenz J.J. Physical Review B; 98 (23, 235423) 2018. 10.1103/PhysRevB.98.235423.


  • Electrical and Thermal Transport in Coplanar Polycrystalline Graphene-hBN Heterostructures

    Barrios-Vargas J.E., Mortazavi B., Cummings A.W., Martinez-Gordillo R., Pruneda M., Colombo L., Rabczuk T., Roche S. Nano Letters; 17 (3): 1660 - 1664. 2017. 10.1021/acs.nanolett.6b04936. IF: 12.712

  • Giant Spin Lifetime Anisotropy in Graphene Induced by Proximity Effects

    Cummings A.W., Garcia J.H., Fabian J., Roche S. Physical Review Letters; 119 (20, 206601) 2017. 10.1103/PhysRevLett.119.206601. IF: 8.462

  • Grain boundary-induced variability of charge transport in hydrogenated polycrystalline graphene

    Vargas J.E.B., Falkenberg J.T., Soriano D., Cummings A.W., Brandbyge M., Roche S. 2D Materials; 4 (2, 025009) 2017. 10.1088/2053-1583/aa59de. IF: 6.937

  • Graphene spintronics

    Cummings A.W., Valenzuela S.O., Ortmann F., Roche S. 2D Materials: Properties and Devices; : 197 - 218. 2017. 10.1017/9781316681619.012.

  • Growth of Twin-Free and Low-Doped Topological Insulators on BaF2(111)

    Bonell F., Cuxart M.G., Song K., Robles R., Ordejón P., Roche S., Mugarza A., Valenzuela S.O. Crystal Growth and Design; 17 (9): 4655 - 4660. 2017. 10.1021/acs.cgd.7b00525. IF: 4.055

  • Large edge magnetism in oxidized few-layer black phosphorus nanomeshes

    Nakanishi Y., Ishi A., Ohata C., Soriano D., Iwaki R., Nomura K., Hasegawa M., Nakamura T., Katsumoto S., Roche S., Haruyama J. Nano Research; 10 (2): 718 - 728. 2017. 10.1007/s12274-016-1355-8. IF: 7.354

  • Record Low Thermal Conductivity of Polycrystalline MoS2 Films: Tuning the Thermal Conductivity by Grain Orientation

    Sledzinska M., Quey R., Mortazavi B., Graczykowski B., Placidi M., Saleta Reig D., Navarro-Urrios D., Alzina F., Colombo L., Roche S., Sotomayor Torres C.M. ACS Applied Materials and Interfaces; 9 (43): 37905 - 37911. 2017. 10.1021/acsami.7b08811. IF: 7.504

  • Scale-invariant large nonlocality in polycrystalline graphene

    Ribeiro M., Power S.R., Roche S., Hueso L.E., Casanova F. Nature Communications; 8 (1, 2198) 2017. 10.1038/s41467-017-02346-x. IF: 12.124

  • Scaling properties of polycrystalline graphene: A review

    Isacsson A., Cummings A.W., Colombo L., Colombo L., Kinaret J.M., Roche S. 2D Materials; 4 (1, 012002) 2017. 10.1088/2053-1583/aa5147. IF: 6.937

  • Spin hall effect and weak antilocalization in graphene/transition metal dichalcogenide heterostructures

    Garcia J.H., Cummings A.W., Roche S. Nano Letters; 17 (8): 5078 - 5083. 2017. 10.1021/acs.nanolett.7b02364. IF: 12.712

  • Spin precession in anisotropic media

    Raes B., Cummings A.W., Bonell F., Costache M.V., Sierra J.F., Roche S., Valenzuela S.O. Physical Review B; 95 (8, 085403) 2017. 10.1103/PhysRevB.95.085403. IF: 3.836

  • Tailoring magnetic insulator proximity effects in graphene: First-principles calculations

    Hallal A., Ibrahim F., Yang H., Roche S., Chshiev M. 2D Materials; 4 (2, 025074) 2017. 10.1088/2053-1583/aa6663. IF: 6.937

  • Valley-polarized quantum transport generated by gauge fields in graphene

    Settnes M., Garcia J.H., Roche S. 2D Materials; 4 (3, 031006) 2017. 10.1088/2053-1583/aa7cbd. IF: 6.937


  • Anomalous ballistic transport in disordered bilayer graphene: A Dirac semimetal induced by dimer vacancies

    Van Tuan D., Roche S. Physical Review B; 93 (4, 041403) 2016. 10.1103/PhysRevB.93.041403.

  • Charge, spin and valley Hall effects in disordered grapheme

    Cresti A., Nikolíc B.K., Garćia J.H., Roche S. Rivista del Nuovo Cimento; 39 (12): 587 - 667. 2016. 10.1393/ncr/i2016-10130-6. IF: 1.250

  • Effects of Dephasing on Spin Lifetime in Ballistic Spin-Orbit Materials

    Cummings A.W., Roche S. Physical Review Letters; 116 (8, 086602) 2016. 10.1103/PhysRevLett.116.086602. IF: 7.645

  • Gate-tunable atomically thin lateral MoS2 Schottky junction patterned by electron beam

    Katagiri Y., Nakamura T., Ishii A., Ohata C., Hasegawa M., Katsumoto S., Cusati T., Fortunelli A., Iannaccone G., Fiori G., Roche S., Haruyama J. Nano Letters; 16 (6): 3788 - 3794. 2016. 10.1021/acs.nanolett.6b01186. IF: 13.779

  • How disorder affects topological surface states in the limit of ultrathin Bi2Se3 films

    Song K., Soriano D., Robles R., Ordejon P., Roche S. 2D Materials; 3 (4, 045007) 2016. 10.1088/2053-1583/3/4/045007. IF: 9.611

  • Introduction to Quantum Transport

    Triozon F., Roche S., Niquet Y.-M. Simulation of Transport in Nanodevices; : 163 - 222. 2016. 10.1002/9781118761793.ch5.

  • Localized electronic states at grain boundaries on the surface of graphene and graphite

    Luican-Mayer A., Barrios-Vargas J.E., Falkenberg J.T., Autès G., Cummings A.W., Soriano D., Li G., Brandbyge M., Yazyev O.V., Roche S., Yandrei E. 2D Materials; 3 (3, 031005) 2016. 10.1088/2053-1583/3/3/031005. IF: 9.611

  • Near-field photocurrent nanoscopy on bare and encapsulated graphene

    Woessner A., Alonso-González P., Lundeberg M.B., Gao Y., Barrios-Vargas J.E., Navickaite G., Ma Q., Janner D., Watanabe K., Cummings A.W., Taniguchi T., Pruneri V., Roche S., Jarillo-Herrero P., Hone J., Hillenbrand R., Koppens F.H.L. Nature Communications; 7 ( 10783) 2016. 10.1038/ncomms10783. IF: 11.329

  • On the possibility of observing tunable laser-induced bandgaps in graphene

    Calvo H.L., Pastawski H.M., Roche S., Foa Torres L.E.F. Graphene, Carbon Nanotubes, and Nanostructures: Techniques and Applications; : 41 - 59. 2016. .

  • Quantum transport in graphene in presence of strain-induced pseudo-Landau levels

    Settnes M., Leconte N., Barrios-Vargas J.E., Jauho A.-P., Roche S. 2D Materials; 3 (3, 034005) 2016. 10.1088/2053-1583/3/3/034005. IF: 9.611

  • Spin dynamics and relaxation in graphene dictated by electron-hole puddles

    Van Tuan D., Ortmann F., Cummings A.W., Soriano D., Roche S. Scientific Reports; 6 ( 21046) 2016. 10.1038/srep21046. IF: 5.228

  • Spin dynamics in bilayer graphene: Role of electron-hole puddles and Dyakonov-Perel mechanism

    Van Tuan D., Adam S., Roche S. Physical Review B; 94 (4, 041405) 2016. 10.1103/PhysRevB.94.041405.

  • Spin Hall Effect and Origins of Nonlocal Resistance in Adatom-Decorated Graphene

    Van Tuan D., Marmolejo-Tejada J.M., Waintal X., Nikolić B.K., Valenzuela S.O., Roche S. Physical Review Letters; 117 (17, 176602) 2016. 10.1103/PhysRevLett.117.176602. IF: 7.645

  • Spin Manipulation in Graphene by Chemically Induced Pseudospin Polarization

    Van Tuan D., Roche S. Physical Review Letters; 116 (10, 106601) 2016. 10.1103/PhysRevLett.116.106601. IF: 7.645

  • Thermal conductivity of MoS2 polycrystalline nanomembranes

    Sledzinska M., Graczykowski B., Placidi M., Reig D.S., El Sachat A., Reparaz J.S., Alzina F., Mortazavi B., Quey R., Colombo L., Roche S., Torres C.M.S. 2D Materials; 3 (3, 035016) 2016. 10.1088/2053-1583/3/3/035016. IF: 9.611

  • Unconventional features in the quantum Hall regime of disordered graphene: Percolating impurity states and Hall conductance quantization

    Leconte N., Ortmann F., Cresti A., Roche S. Physical Review B; 93 (11, 115404) 2016. 10.1103/PhysRevB.93.115404.


  • Efficient linear scaling approach for computing the Kubo Hall conductivity

    Ortmann F., Leconte N., Roche S. Physical Review B - Condensed Matter and Materials Physics; 91 (16, 165117) 2015. 10.1103/PhysRevB.91.165117. IF: 3.736

  • Graphene spintronics: The European Flagship perspective

    Roche S., Åkerman J., Beschoten B., Charlier J.-C., Chshiev M., Dash S.P., Dlubak B., Fabian J., Fert A., Guimarães M., Guinea F., Grigorieva I., Schönenberger C., Seneor P., Stampfer C., Valenzuela S.O., Waintal X., Van Wees B. 2D Materials; 2 (3, 030202) 2015. 10.1088/2053-1583/2/3/030202. IF: 0.000

  • Quantum Spin Hall Effect and Topological Insulators

    Ortmann F., Roche S., Valenzuela S.O. Topological Insulators: Fundamentals and Perspectives; : 3 - 10. 2015. 10.1002/9783527681594.ch1.

  • Role of grain boundaries in tailoring electronic properties of polycrystalline graphene by chemical functionalization

    Seifert M., Vargas J.E.B., Bobinger M., Sachsenhauser M., Cummings A.W., Roche S., Garrido J.A. 2D Materials; 2 (2, 024008) 2015. 10.1088/2053-1583/2/2/024008. IF: 0.000

  • Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems

    Ferrari A.C., Bonaccorso F., Fal'ko V., Novoselov K.S., Roche S., Bøggild P., Borini S., Koppens F.H.L., Palermo V., Pugno N., Garrido J.A., Sordan R., Bianco A., Ballerini L., Prato M., Lidorikis E., Kivioja J., Marinelli C., Ryhänen T., Morpurgo A., Coleman J.N., Nicolosi V., Colombo L., Fert A., Garcia-Hernandez M., Bachtold A., Schneider G.F., Guinea F., Dekker C., Barbone M., Sun Z., Galiotis C., Grigorenko A.N., Konstantatos G., Kis A., Katsnelson M., Vandersypen L., Loiseau A., Morandi V., Neumaier D., Treossi E., Pellegrini V., Polini M., Tredicucci A., Williams G.M., Hee Hong B., Ahn J.-H., Min Kim J., Zirath H., Van Wees B.J., Van Der Zant H., Occhipinti L., Di Matteo A., Kinloch I.A., Seyller T., Quesnel E., Feng X., Teo K., Rupesinghe N., Hakonen P., Neil S.R.T., Tannock Q., Löfwander T., Kinaret J. Nanoscale; 7 (11): 4598 - 4810. 2015. 10.1039/c4nr01600a. IF: 7.394

  • Spin transport in hydrogenated graphene

    Soriano D., Van Tuan D., Dubois S.M.-M., Gmitra M., Cummings A.W., Kochan D., Ortmann F., Charlier J.-C., Fabian J., Roche S. 2D Materials; 2 (2, 022002) 2015. 10.1088/2053-1583/2/2/022002. IF: 0.000

  • Topological Insulators: Fundamentals and Perspectives

    Ortmann F., Roche S., Valenzuela S.O. Topological Insulators: Fundamentals and Perspectives; : 1 - 407. 2015. 10.1002/9783527681594.


  • Anisotropic behavior of quantum transport in graphene superlattices: Coexistence of ballistic conduction with Anderson insulating regime

    Pedersen, J.G.; Cummings, A.W.; Roche, S. Physical Review B - Condensed Matter and Materials Physics; 2014. 10.1103/PhysRevB.89.165401. IF: 3.664

  • Anomalous dissipation mechanism and Hall quantization limit in polycrystalline graphene grown by chemical vapor deposition

    Lafont, F.; Ribeiro-Palau, R.; Han, Z.; Cresti, A.; Delvallee, A.; Cummings, A.W.; Roche, S.; Bouchiat, V.; Ducourtieux, S.; Schopfer, F.; Poirier, W. Physical Review B - Condensed Matter and Materials Physics; 2014. 10.1103/PhysRevB.90.115422. IF: 3.664

  • Charge transport in polycrystalline graphene: Challenges and opportunities

    Cummings, A.W.; Duong, D.L.; Nguyen, V.L.; Van Tuan, D.; Kotakoski, J.; Barrios Vargas, J.E.; Lee, Y.H.; Roche, S. Advanced Materials; 26 (30): 5079 - 5094. 2014. 10.1002/adma.201401389. IF: 15.409

  • Fingerprints of inelastic transport at the surface of the topological insulator Bi 2 Se 3: Role of electron-phonon coupling

    Costache, M.V.; Neumann, I.; Sierra, J.F.; Marinova, V.; Gospodinov, M.M.; Roche, S.; Valenzuela, S.O. Physical Review Letters; 2014. 10.1103/PhysRevLett.112.086601. IF: 7.728

  • Graphene spintronics: Puzzling controversies and challenges for spin manipulation

    Roche, S.; Valenzuela, S.O. Journal of Physics D - Applied Physics; 2014. 10.1088/0022-3727/47/9/094011. IF: 2.521

  • Impact of graphene polycrystallinity on the performance of graphene field-effect transistors

    Jiménez, D.; Cummings, A.W.; Chaves, F.; Van Tuan, D.; Kotakoski, J.; Roche, S. Applied Physics Letters; 2014. 10.1063/1.4863842. IF: 3.515

  • Multiple quantum phases in graphene with enhanced spin-orbit coupling: From the quantum spin hall regime to the spin hall effect and a robust metallic state

    Cresti, A.; Van Tuan, D.; Soriano, D.; Cummings, A.W.; Roche, S. Physical Review Letters; 113 (24): NC. 2014. 10.1103/PhysRevLett.113.246603. IF: 7.728

  • Physical model of the contact resistivity of metal-graphene junctions

    Chaves F.A., Jiménez D., Cummings A.W., Roche S. Journal of Applied Physics; 115 (16, 164513) 2014. 10.1063/1.4874181. IF: 2.101

  • Pseudospin-driven spin relaxation mechanism in graphene

    Tuan, D.V.; Ortmann, F.; Soriano, D.; Valenzuela, S.O.; Roche, S. Nature Physics; 10 (11): 857 - 863. 2014. 10.1038/nphys3083. IF: 20.603

  • Quantum Hall Effect in Polycrystalline Graphene: The Role of Grain Boundaries

    Cummings, A.W.; Cresti, A.; Roche, S. Physical Review B - Condensed Matter and Materials Physics; 90: 161401 (R). 2014. 10.1103/PhysRevB.90.161401. IF: 3.664

  • Quantum transport in chemically functionalized graphene at high magnetic field: defect-induced critical states and breakdown of electron-hole symmetry

    Leconte, N; Ortmann, F.; Cresti, A.; Charlier, J.C.; Roche, S. 2D Materials; 2014. 10.1088/2053-1583/1/2/021001. IF: 0.000

  • Transport fingerprints at graphene superlattice Dirac points induced by a boron nitride substrate

    Martinez-Gordillo, R.; Roche, S.; Ortmann, F.; Pruneda, M. Physical Review B - Condensed Matter and Materials Physics; 2014. 10.1103/PhysRevB.89.161401. IF: 3.664

  • Tunneling magnetoresistance phenomenon utilizing graphene magnet electrode

    Hashimoto, T.; Kamikawa, S.; Soriano, D.; Pedersen, J. G.; Roche, S.; Haruyama, J. Applied Physics Letters; 105: 183111. 2014. 10.1063/1.4901279. IF: 3.515


  • Band gap engineering via edge-functionalization of graphene nanoribbons

    Wagner, P.; Ewels, C.P.; Adjizian, J.-J.; Magaud, L.; Pochet, P.; Roche, S.; Lopez-Bezanilla, A.; Ivanovskaya, V.V.; Yaya, A.; Rayson, M.; Briddon, P.; Humbert, B. Journal of Physical Chemistry C; 117 (50): 26790 - 26796. 2013. 10.1021/jp408695c. IF: 4.814

  • Broken symmetries, zero-energy modes, and quantum transport in disordered graphene: From supermetallic to insulating regimes

    Cresti, A.; Ortmann, F.; Louvet, T.; Van Tuan, D.; Roche, S. Physical Review Letters; 110 2013. 10.1103/PhysRevLett.110.196601. IF: 7.943

  • Highly defective graphene: A key prototype of two-dimensional Anderson insulators

    Lherbier, A.; Roche, S.; Restrepo, O.A.; Niquet, Y.-M.; Delcorte, A.; Charlier, J.-C. Nano Research; 6: 326 - 334. 2013. 10.1007/s12274-013-0309-7. IF: 7.392

  • Impact of vacancies on diffusive and pseudodiffusive electronic transport in graphene

    Cresti, A.; Louvet, T.; Ortmann, F.; Van Tuan, D.; Lenarczyk, P.; Huhs, G.; Roche, S. Crystals; 3 (2): 289 - 305. 2013. 10.3390/cryst3020289. IF: 0.000

  • Multiscale simulation of carbon nanotube transistors

    Maneux, C.; Fregonese, S.; Zimmer, T.; Retailleau, S.; Nguyen, H.N.; Querlioz, D.; Bournel, A.; Dollfus, P.; Triozon, F.; Niquet, Y.M.; Roche, S. Solid-State Electronics; 89: 26 - 67. 2013. 10.1016/j.sse.2013.06.013. IF: 1.482

  • Non-perturbative effects of laser illumination on the electrical properties of graphene nanoribbons

    Calvo, H.L.; Perez-Piskunow, P.M.; Pastawski, H.M.; Roche, S.; Foa Torres, L.E.F. Journal of Physics Condensed Matter; 25 2013. 10.1088/0953-8984/25/14/144202. IF: 2.355

  • Proximity effects induced in graphene by magnetic insulators: First-principles calculations on spin filtering and exchange-splitting gaps

    Yang, H.X.; Hallal, A.; Terrade, D.; Waintal, X.; Roche, S.; Chshiev, M. Physical Review Letters; 110 2013. 10.1103/PhysRevLett.110.046603. IF: 7.943

  • Scaling properties of charge transport in polycrystalline graphene

    Van Tuan, D.; Kotakoski, J.; Louvet, T.; Ortmann, F.; Meyer, J.C.; Roche, S. Nano Letters; 13: 1730 - 1735. 2013. 10.1021/nl400321r. IF: 13.025

  • Splitting of the zero-energy Landau level and universal dissipative conductivity at critical points in disordered graphene

    Ortmann, F.; Roche, S. Physical Review Letters; 2013. 10.1103/PhysRevLett.110.086602. IF: 7.943


  • Atomistic boron-doped graphene field-effect transistors: A route toward unipolar characteristics

    Marconcini, P.; Cresti, A.; Triozon, F.; Fiori, G.; Biel, B.; Niquet, Y.M.; Macucci, M.; Roche, S. ACS Nano; 6: 7942 - 7947. 2012. 10.1021/nn3024046.

  • Chemically enriched graphene-based switching devices: A novel principle driven by impurity-induced quasibound states and quantum coherence

    Roche, S.; Biel, B.; Cresti, A.; Triozon, F. Physica E: Low-Dimensional Systems and Nanostructures; 44: 960 - 962. 2012. 10.1016/j.physe.2011.06.008.

  • Electron-hole transport asymmetry in boron-doped graphene field effect transistors

    Marconcini, P. ; Cresti, A. ; Triozon, F.; Fiori, G. ; Biel, B. ; Niquet, Y.M.; Macucci, M.; Roche, S. Journal of Computational Electronics; 1: 1 - 4. 2012. 10.1109/IWCE.2012.6242844.

  • Embedded boron nitride domains in graphene nanoribbons for transport gap engineering

    Lopez-Bezanilla, A.; Roche, S. Physical Review B - Condensed Matter and Materials Physics; 86 2012. 10.1103/PhysRevB.86.165420.

  • Insulating behavior of an amorphous graphene membrane

    Van Tuan D., Kumar A., Roche S., Ortmann F., Thorpe M.F., Ordejon P. Physical Review B - Condensed Matter and Materials Physics; 86 (12, 121408) 2012. 10.1103/PhysRevB.86.121408.

  • Laser-induced effects on the electronic features of graphene nanoribbons

    Calvo, H.L.; Perez-Piskunow, P.M.; Roche, S.; Foa Torres, L.E.F. Applied Physics Letters; 101 2012. 10.1063/1.4772496.

  • Quantum transport in disordered graphene: A theoretical perspective

    Roche, S.; Leconte, N.; Ortmann, F.; Lherbier, A.; Soriano, D.; Charlier, J.-C. Solid State Communications; 152: 1404 - 1410. 2012. 10.1016/j.ssc.2012.04.030.

  • Quenching of the quantum hall effect in graphene with scrolled edges

    Cresti, A.; Fogler, M.M.; Guinea, F.; Castro Neto, A.H.; Roche, S. Physical Review Letters; 108 2012. 10.1103/PhysRevLett.108.166602.

  • Three-dimensional models of topological insulators: Engineering of Dirac cones and robustness of the spin texture

    Soriano, D.; Ortmann, F.; Roche, S. Physical Review Letters; 109 2012. 10.1103/PhysRevLett.109.266805.

  • Transport properties of graphene containing structural defects

    Lherbier, A.; Dubois, S.M.-M.; Declerck, X.; Niquet, Y.-M.; Roche, S.; Charlier, J.-C. Physical Review B - Condensed Matter and Materials Physics; 86 2012. 10.1103/PhysRevB.86.075402.


  • Effects of domains in phonon conduction through hybrid boron nitride and graphene sheets

    Sevinçli, H.; Li, W.; Mingo, N.; Cuniberti, G.; Roche, S. Physical Review B - Condensed Matter and Materials Physics; 84 2011. 10.1103/PhysRevB.84.205444.

  • Efficient linear scaling method for computing the thermal conductivity of disordered materials

    Li, W.; Sevinçli, H.; Roche, S.; Cuniberti, G. Physical Review B - Condensed Matter and Materials Physics; 83 2011. 10.1103/PhysRevB.83.155416.

  • Engineering carbon chains from mechanically stretched graphene-based materials

    Erdogan, E.; Popov, I.; Rocha, C.G.; Cuniberti, G.; Roche, S.; Seifert, G. Physical Review B - Condensed Matter and Materials Physics; 83 2011. 10.1103/PhysRevB.83.041401.

  • Graphene: Piecing it together

    Rümmeli, M.H.; Rocha, C.G.; Ortmann, F.; Ibrahim, I.; Sevincli, H.; Börrnert, F.; Kunstmann, J.; Bachmatiuk, A.; Pötschke, M.; Shiraishi, M.; Meyyappan, M.; Büchner, B.; Roche, S.; Cuniberti, G. Advanced Materials; 23: 4471 - 4490. 2011. 10.1002/adma.201101855.

  • Inducing and optimizing magnetism in graphene nanomeshes

    Yang, H.-X.; Chshiev, M.; Boukhvalov, D.W.; Waintal, X.; Roche, S. Physical Review B - Condensed Matter and Materials Physics; 84 2011. 10.1103/PhysRevB.84.214404.

  • Integer quantum Hall effect in trilayer graphene

    Kumar, A.; Escoffier, W.; Poumirol, J.M.; Faugeras, C.; Arovas, D.P.; Fogler, M.M.; Guinea, F.; Roche, S.; Goiran, M.; Raquet, B. Physical Review Letters; 107 2011. 10.1103/PhysRevLett.107.126806.

  • Magnetism-dependent transport phenomena in hydrogenated graphene: From spin-splitting to localization effects

    Leconte N., Soriano D., Roche S., Ordejon P., Charlier J.-C., Palacios J.J. ACS Nano; 5 (5): 3987 - 3992. 2011. 10.1021/nn200558d.

  • Magnetoresistance and magnetic ordering fingerprints in hydrogenated graphene

    Soriano D., Leconte N., Ordejón P., Charlier J.-C., Palacios J.-J., Roche S. Physical Review Letters; 107 (1, 016602) 2011. 10.1103/PhysRevLett.107.016602.

  • Magnetoresistance in disordered graphene: The role of pseudospin and dimensionality effects unraveled

    Ortmann, F.; Cresti, A.; Montambaux, G.; Roche, S. Europhysics Letters; 94 2011. 10.1209/0295-5075/94/47006.

  • Mechanically-induced transport switching effect in graphene-based nanojunctions

    Kawai, T.; Poetschke, M.; Miyamoto, Y.; Rocha, C.G.; Roche, S.; Cuniberti, G. Physical Review B - Condensed Matter and Materials Physics; 83 2011. 10.1103/PhysRevB.83.241405.

  • Nanoelectronics: Graphene gets a better gap

    Roche, S. Nature Nanotechnology; 2011. 10.1038/nnano.2010.262 .

  • Oxygen surface functionalization of graphene nanoribbons for transport gap engineering

    Cresti A., Lopez-Bezanilla A., Ordejón P., Roche S. ACS Nano; 5 (11): 9271 - 9277. 2011. 10.1021/nn203573y.

  • Polaron transport in organic crystals: Temperature tuning of disorder effects

    Ortmann, F.; Roche, S. Physical Review B - Condensed Matter and Materials Physics; 84 2011. 10.1103/PhysRevB.84.180302.

  • Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization

    Leconte N., Lherbier A., Varchon F., Ordejon P., Roche S., Charlier J.-C. Physical Review B - Condensed Matter and Materials Physics; 84 (23, 235420) 2011. 10.1103/PhysRevB.84.235420.

  • Tuning laser-induced band gaps in graphene

    Calvo, H.L.; Pastawski, H.M.; Roche, S.; Torres, L.E.F.F. Applied Physics Letters; 98 2011. 10.1063/1.3597412.

  • Two-dimensional graphene with structural defects: Elastic mean free path, minimum conductivity, and anderson transition

    Lherbier, A.; Dubois, S.M.M.; Declerck, X.; Roche, S.; Niquet, Y.M.; Charlier, J.C. Physical Review Letters; 106 2011. 10.1103/PhysRevLett.106.046803.

  • Unveiling the magnetic structure of graphene nanoribbons

    Ribeiro, R.; Poumirol, J.-M.; Cresti, A.; Escoffier, W.; Goiran, M.; Broto, J.-M.; Roche, S.; Raquet, B. Physical Review Letters; 107 2011. 10.1103/PhysRevLett.107.086601.


  • Conductance of functionalized nanotubes, graphene and nanowires: from ab initio to mesoscopic physics

    Blase, X. ; Adessi, C.; Biel, B.; Lopez-Bezanilla, A.; Fernández-Serra, M.V.; Margine, E. R.; Triozon, F.; Roche, S. Physica Status Solidi (B): Basic Research; 2010. .

  • Damaging graphene with ozone treatment: A chemically tunable metal - Insulator transition

    Leconte N., Moser J., Ordejón P., Tao H., Lherbier A., Bachtold A., Alsina F., Sotomayor Torres C.M., Charlier J.-C., Roche S. ACS Nano; 4 (7): 4033 - 4038. 2010. 10.1021/nn100537z.

  • Edge magnetotransport fingerprints in disordered graphene nanoribbons

    Poumirol, J.-M.; Cresti, A.; Roche, S.; Escoffier, W.; Goiran, M.; Wang, X.; Li, X.; Dai, H.; Raquet, B. Physical Review B - Condensed Matter and Materials Physics; 82 2010. 10.1103/PhysRevB.82.041413.

  • Inelastic transport in vibrating disordered carbon nanotubes: Scattering times and temperature-dependent decoherence effects

    Ishii, H.; Roche, S.; Kobayashi, N.; Hirose, K. Physical Review Letters; 104 2010. 10.1103/PhysRevLett.104.116801.

  • Magnetotransport in disordered graphene exposed to ozone: From weak to strong localization

    Moser, J.; Tao, H.; Roche, S.; Alzina, F.; Sotomayor Torres, C.M.; Bachtold, A. Physical Review B - Condensed Matter and Materials Physics; 81 2010. 10.1103/PhysRevB.81.205445.

  • Mobility gaps in disordered graphene-based materials: An ab initio -based tight-binding approach to mesoscopic transport

    Biel, B.; Cresti, A.; Avriller, R.; Dubois, S.; López-Bezanilla, A.; Triozon, F.; Blase, X.; Charlier, J.-C.; Roche, S. Physica Status Solidi (C) Current Topics in Solid State Physics; 7: 2628 - 2631. 2010. 10.1002/pssc.200983826.

  • Modeling graphene-based nanoelectromechanical devices

    Poetschke, M.; Rocha, C.G.; Foa Torres, L.E.F.; Roche, S.; Cuniberti, G. Physical Review B - Condensed Matter and Materials Physics; 81 2010. 10.1103/PhysRevB.81.193404.

  • Phonon transport in large scale carbon-based disordered materials: Implementation of an efficient order-N and real-space Kubo methodology

    Li, W.; Sevinçli, H.; Cuniberti, G.; Roche, S. Physical Review B - Condensed Matter and Materials Physics; 82 2010. 10.1103/PhysRevB.82.041410.

  • Preface: Phys. stat. sol. (c) 7/11-12

    Correia, A.; Sáenz, J.J.; Ordejon, P.; Roche, S. Physica Status Solidi (C) Current Topics in Solid State Physics; 7: 2593 - 2595. 2010. 10.1002/pssc.201060100.

  • Quantum transport in graphene nanoribbons: Effects of edge reconstruction and chemical reactivity

    Dubois, S.M.-M.; Lopez-Bezanilla, A.; Cresti, A.; Triozon, F.; Biel, B.; Charlier, J.-C.; Roche, S. ACS Nano; 4: 1971 - 1976. 2010. 10.1021/nn100028q.

  • Simulation, modelling and characterisation of quasi-ballistic transport in nanometer sized field effect transistors: from TCAD to atomistic simulation

    Roche, S.; Poiroux, T.; Lecarval, G.; Barraud, S.; Triozon, F.; Persson, M.; Niquet, Y.M. International Journal of Nanotechnology; 7 (04-ag.): 348 - 366. 2010. 10.1504/IJNT.2010.031724.

  • Tuning the band gap of semiconducting carbon nanotube by an axial magnetic field

    Fedorov, G.; Barbara, P.; Smirnov, D.; Jiménez, D.; Roche, S. Applied Physics Letters; 2010. .


  • Propagative Landau states and Fermi level pinning in carbon nanotubes

    Nanot, S.; Avriller, R.; Escoffier, W.; Broto, J.-M.; Roche, S.; Raquet, B. Physical Review Letters; 103 2009. 10.1103/PhysRevLett.103.256801.