000224941 001__ 224941
000224941 005__ 20190416220335.0
000224941 0247_ $$2doi$$a10.1103/PhysRevB.94.245411
000224941 022__ $$a2469-9950
000224941 02470 $$2ISI$$a000389503900003
000224941 037__ $$aARTICLE
000224941 245__ $$aAbsolute deformation potentials of two-dimensional materials
000224941 260__ $$bAmer Physical Soc$$c2016$$aCollege Pk
000224941 269__ $$a2016
000224941 300__ $$a8
000224941 336__ $$aJournal Articles
000224941 520__ $$aWe present ab initio calculations of uniaxial absolute deformation potentials of the valence and the conduction bands in monolayer MoS2, MoSe2, WS2, WSe2, h-BN, and phosphorene. Calculations are performed using both semilocal and hybrid functionals. The absolute positions of the band edges in strained and unstrained materials are determined using the vacuum level as reference. For WSe2, we compare the obtained results with measured shifts of the valence band maximum (VBM) and the conduction band minimum (CBM) induced by uniaxial strain and find a very good agreement. The parameters describing the shifts in the VBM and CBM positions under strain can be used in the modeling of devices such as tunneling field-effect transistors.
000224941 700__ $$0249568$$g265348$$aWiktor, Julia
000224941 700__ $$aPasquarello, Alfredo$$g109250$$0241891
000224941 773__ $$j94$$tPhysical Review B$$k24$$q245411
000224941 8564_ $$uhttps://infoscience.epfl.ch/record/224941/files/PhysRevB.94.245411.pdf$$zPublisher's version$$s562482$$yPublisher's version
000224941 909C0 $$xU10186$$0252232$$pCSEA
000224941 909CO $$ooai:infoscience.tind.io:224941$$qGLOBAL_SET$$pSB$$particle
000224941 917Z8 $$x109250
000224941 917Z8 $$x109250
000224941 937__ $$aEPFL-ARTICLE-224941
000224941 973__ $$rREVIEWED$$sPUBLISHED$$aEPFL
000224941 980__ $$aARTICLE