Chalcogen vacancies in monolayer transition metal dichalcogenides and Fermi level pinning at contacts
Chalcogen vacancies in monolayer transition metal dichalcogenides and Fermi level pinning at contacts
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DOI：
10.1063/1.4919524
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发表时间：
2015-04-27
影响因子：
4
通讯作者：
Robertson, J.
中科院分区：
文献类型：
--
作者：
Guo, Y.;Liu, D.;Robertson, J.
预测过渡金属二盐化合物MoSe2、MoTe2、WS2、WSe2和WTe2的肖特基势垒将比MoS2受到硫族空位的费米能级钉扎的影响较小，因为它们的空位形成能更大。空位数的减少将允许通过改变这些化合物中触点的金属功函数来更大程度地调节肖特基势垒高度。WS2、WSe2、MoSe2和MoTe2的空位能级也被计算为更接近禁带中部，因此这些化合物的双极导电将比MoS2更容易。(C)2015 AIP出版有限责任公司。
It is predicted that Schottky barriers of the transition metal dichalcogenides MoSe2, MoTe2, WS2, WSe2, and WTe2 will suffer less from Fermi level pinning by chalcogen vacancies than does MoS2, because their vacancy formation energies are larger. The reduction in vacancy numbers will allow a greater degree of Schottky barrier height tuning by varying metal work function of the contacts in these compounds. The vacancy levels of WS2, WSe2 and MoSe2, and MoTe2 are also calculated to lie nearer midgap, so that ambipolar conduction will be easier in these compounds than in MoS2. (C) 2015 AIP Publishing LLC.