2016
DOI: 10.1063/1.4942162
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Anisotropic electronic, mechanical, and optical properties of monolayer WTe2

Abstract: Using first-principles calculations, we investigate the electronic, mechanical, and optical properties of monolayer WTe 2. Atomic structure and ground state properties of monolayer WTe 2 (T d phase) are anisotropic which are in contrast to similar monolayer crystals of transition metal dichalcogenides, such as MoS 2 , WS 2 , MoSe 2 , WSe 2 , and MoTe 2 , which crystallize in the H-phase. We find that the Poisson ratio and the in-plane stiffness is direction dependent due to the symmetry breaking induced by the… Show more

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Cited by 87 publications
(60 citation statements)
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“…It is seen that the charge neutrality point of the graphene/WTe 2 hybrid device, upon light irradiation, shifts to a larger positive voltage, unambiguously indicating a hole-doped effect of graphene (or photogenerated electrons transfer from graphene to WTe 2 ). Such a shift in transfer curve is compatible with the previously discussed Fermi level pinning effect, when considering the work function for graphene and WTe 2 are 4.5 eV and 4.39 eV, respectively 30 , 39 . It should be noted that the rather small work function mismatch (~0.1 eV) would lead to a built-in field that is weak and easily screened by impurity at the interface.…”
Section: Resultssupporting
confidence: 89%
“…It is seen that the charge neutrality point of the graphene/WTe 2 hybrid device, upon light irradiation, shifts to a larger positive voltage, unambiguously indicating a hole-doped effect of graphene (or photogenerated electrons transfer from graphene to WTe 2 ). Such a shift in transfer curve is compatible with the previously discussed Fermi level pinning effect, when considering the work function for graphene and WTe 2 are 4.5 eV and 4.39 eV, respectively 30 , 39 . It should be noted that the rather small work function mismatch (~0.1 eV) would lead to a built-in field that is weak and easily screened by impurity at the interface.…”
Section: Resultssupporting
confidence: 89%
“…First, the cohesive energy of h-InC is calculated as -3.91 eV per atom. This value is comparable to those of known 2D materials, such as silicene (-3.96 eV), germanene (-2.6 eV) 102 , as well as existing monolayer transition metal dichalcogenides, including MoTe 2 and WSe 2 (-4 ∼ -6 eV) [103][104][105][106][107] . Moreover, the h-InC lattice forms a local minimum in atomic configuration space as shown in the total energy curve in Fig.…”
Section: Resultssupporting
confidence: 78%
“…The ARPOM was developed to imaging the grain boundary and identify the lattice orientation of as‐synthesized multidomain 1T′ MoTe 2 films with nondestructive and fast. Our findings not only provide a convenient and undamaged approach to imaging and identify the crystal structure of anisotropic 2D materials simply by ARPOM but also will encourage other groups to take the study of the anisotropic optical properties for those 2D semimetal materials, such as WTe 2 , TaS 2 , NbSe 2 , and VSe 2 …”
Section: Resultsmentioning
confidence: 83%