Abstract
The electronic structures of the WTe2 bulk and layers are investigated by using the first-principles calculations. The perfect electron-hole charge compensation and high carrier mobilities are found in the WTe2 bulk, which may result in the large and non-saturating magnetoresistance (MR) observed very recently in the experiment (Ali M. N. et al, Nature, 514 (2014) 205). The monolayer and bilayer of WTe2 preserve the semimetallic property, with equal hole and electron carrier concentrations. Moreover, very high carrier mobilities are also found in WTe2 monolayer, indicating that the WTe2 monolayer would have the same extraordinary MR effect as the bulk, which could have promising applications in nanostructured magnetic devices.
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