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dc.contributor.authorRudenko, A. N.en
dc.contributor.authorKatsnelson, M. I.en
dc.contributor.authorGornostyrev, Y. N.en
dc.date.accessioned2022-05-12T08:16:06Z-
dc.date.available2022-05-12T08:16:06Z-
dc.date.issued2021-
dc.identifier.citationRudenko A. N. Dislocation Structure and Mobility in the Layered Semiconductor InSe: a First-Principles Study / A. N. Rudenko, M. I. Katsnelson, Y. N. Gornostyrev. — DOI 10.1016/j.physleta.2008.12.010 // 2D Materials. — 2021. — Vol. 8. — Iss. 4. — 045028.en
dc.identifier.issn2053-1583-
dc.identifier.otherAll Open Access, Green3
dc.identifier.urihttp://elar.urfu.ru/handle/10995/111317-
dc.description.abstractThe structure and mobility of dislocations in the layered semiconductor InSe is studied within a multiscale approach based on generalized Peierls-Nabarro model with material-specific parametrization derived from first principles. The plasticity of InSe turns out to be attributed to peculiarities of the generalized stacking fault relief for the interlayer dislocation slips such as existence of the stacking fault with a very low energy and low energy barriers. Our results give a consistent microscopic explanation of recently observed (2020 Science 369, 542) exceptional plasticity of InSe. © 2021 The Author(s). Published by IOP Publishing Ltd.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherIOP Publishing Ltden1
dc.publisherIOP Publishingen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.source2D Materials2
dc.source2D Materialsen
dc.subjectDISLOCATIONSen
dc.subjectFIRST-PRINCIPLES CALCULATIONSen
dc.subjectINSEen
dc.subjectPLASTICITYen
dc.subjectSEMICONDUCTORSen
dc.subjectINDIUM COMPOUNDSen
dc.subjectPLASTICITYen
dc.subjectSEMICONDUCTING SELENIUM COMPOUNDSen
dc.subjectSTACKING FAULTSen
dc.subjectDISLOCATIONen
dc.subjectDISLOCATION MOBILITYen
dc.subjectDISLOCATION STRUCTURESen
dc.subjectFIRST PRINCIPLE CALCULATIONSen
dc.subjectFIRST PRINCIPLESen
dc.subjectFIRST-PRINCIPLE STUDYen
dc.subjectMOBILITY OF DISLOCATIONSen
dc.subjectMULTI-SCALE APPROACHESen
dc.subjectPARAMETRIZATIONSen
dc.subjectPEIERLS-NABARRO MODELen
dc.subjectCALCULATIONSen
dc.titleDislocation Structure and Mobility in the Layered Semiconductor InSe: a First-Principles Studyen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/submittedVersionen
dc.identifier.rsi47081330-
dc.identifier.doi10.1088/2053-1583/ac207b-
dc.identifier.scopus85115948961-
local.contributor.employeeRudenko, A.N., Radboud University, Institute for Molecules and Materials, Nijmegen, NL-6525 AJ, Netherlands, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Ekaterinburg, 620002, Russian Federation; Katsnelson, M.I., Radboud University, Institute for Molecules and Materials, Nijmegen, NL-6525 AJ, Netherlands, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Ekaterinburg, 620002, Russian Federation; Gornostyrev, Y.N., M.N. Mikheev Institute of Metal Physics UB RAS, S. Kovalevskaya str. 18, Ekaterinburg, 620137, Russian Federationen
local.issue4-
local.volume8-
dc.identifier.wos000694800900001-
local.contributor.departmentRadboud University, Institute for Molecules and Materials, Nijmegen, NL-6525 AJ, Netherlands; Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Ekaterinburg, 620002, Russian Federation; M.N. Mikheev Institute of Metal Physics UB RAS, S. Kovalevskaya str. 18, Ekaterinburg, 620137, Russian Federationen
local.identifier.pure23688979-
local.description.order045028-
local.identifier.eid2-s2.0-85115948961-
local.identifier.wosWOS:000694800900001-
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