Fig. 3. (Color online) The structure of the lowest energy states and DOS of 1H MoS2−2xTe2x alloys with x = 0.25 (a), 0.50 (b) and 0.75 (c). Four formula unit cell is indicated by red dashed frame. (d) Band gap as a function of Te content, which is found to vary linearly with composition x.
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