000205501 001__ 205501
000205501 005__ 20181203023756.0
000205501 0247_ $$2doi$$a10.1103/PhysRevB.90.245411
000205501 022__ $$a1098-0121
000205501 02470 $$2ISI$$a000346372900004
000205501 037__ $$aARTICLE
000205501 245__ $$aSpin-resolved optical conductivity of two-dimensional group-VIB transition-metal dichalcogenides
000205501 260__ $$bAmer Physical Soc$$c2014$$aCollege Pk
000205501 269__ $$a2014
000205501 300__ $$a8
000205501 336__ $$aJournal Articles
000205501 520__ $$aWe present an ab initio study of the spin-resolved optical conductivity of two-dimensional (2D) group-VIB transition-metal dichalcogenides (TMDs). We carry out fully relativistic density-functional-theory calculations combined with maximally localized Wannier functions to obtain band manifolds at extremely high resolutions and focus on the photoresponse of 2D TMDs to circularly polarized light in a wide frequency range. We present extensive numerical results for monolayer TMDs involving molybdenum and tungsten combined with sulfur and selenium. Our numerical approach allows us to locate with a high degree of accuracy the positions of the points in the Brillouin zone that are responsible for Van Hove singularities in the optical response. Surprisingly, some of the saddle points do not occur exactly along high-symmetry directions in the Brillouin zone, although they happen to be in their close proximity.
000205501 700__ $$0247077$$g231537$$uEcole Polytech Fed Lausanne, Theory & Simulat Mat THEOS, CH-1015 Lausanne, Switzerland$$aGibertini, Marco
000205501 700__ $$uScuola Normale Super Pisa, NEST, I-56126 Pisa, Italy$$aPellegrino, Francesco M. D.
000205501 700__ $$0246415$$g210230$$uEcole Polytech Fed Lausanne, Theory & Simulat Mat THEOS, CH-1015 Lausanne, Switzerland$$aMarzari, Nicola
000205501 700__ $$aPolini, Marco$$uCNR, Ist Nanosci, NEST, I-56126 Pisa, Italy
000205501 773__ $$j90$$tPhysical Review B$$k24
000205501 909C0 $$xU12411$$0252461$$pTHEOS
000205501 909CO $$pSTI$$particle$$ooai:infoscience.tind.io:205501
000205501 917Z8 $$x210230
000205501 937__ $$aEPFL-ARTICLE-205501
000205501 973__ $$rREVIEWED$$sPUBLISHED$$aEPFL
000205501 980__ $$aARTICLE