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The electronic structures of the WTe 2 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 WTe 2 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 WTe 2 preserve the semimetallic property, with equal hole and electron carrier concentrations. Moreover, very high carrier mobilities are also found in WTe 2 monolayer, indicating that the WTe 2 monolayer would have the same extraordinary MR effect as the bulk, which could have promising applications in nanostructured magnetic devices.
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