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dc.contributor.authorCheng, Yingchun
dc.contributor.authorZhu, Zhiyong
dc.contributor.authorTahir, Muhammad
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-08-03T11:10:42Z
dc.date.available2015-08-03T11:10:42Z
dc.date.issued2013-06-12
dc.identifier.issn02955075
dc.identifier.doi10.1209/0295-5075/102/57001
dc.identifier.urihttp://hdl.handle.net/10754/562800
dc.description.abstractThe Rashba effect in quasi two-dimensional materials, such as noble metal surfaces and semiconductor heterostructures, has been investigated extensively, while interest in real two-dimensional systems has just emerged with the discovery of graphene. We present ab initio electronic structure, phonon, and molecular-dynamics calculations to study the structural stability and spin-orbit-induced spin splitting in the transition metal dichalcogenide monolayers MXY (M = Mo, W and X, Y = S, Se, Te). In contrast to the non-polar systems with X = Y, in the polar systems with X ≠ Y the Rashba splitting at the Γ-point for the uppermost valence band is caused by the broken mirror symmetry. An enhancement of the splitting can be achieved by increasing the spin-orbit coupling and/or the potential gradient. © Copyright EPLA, 2013.
dc.publisherIOP Publishing
dc.titleSpin-orbit-induced spin splittings in polar transition metal dichalcogenide monolayers
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentCore Labs
dc.contributor.departmentKAUST Supercomputing Laboratory (KSL)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentSupercomputing, Computational Scientists
dc.identifier.journalEPL (Europhysics Letters)
kaust.personCheng, Yingchun
kaust.personZhu, Zhiyong
kaust.personTahir, Muhammad
kaust.personSchwingenschlögl, Udo
dc.date.published-online2013-06-12
dc.date.published-print2013-06-01


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