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Band Structure Engineering of Multinary Chalcogenide Topological Insulators
Shiyou Chen, X. G. Gong, Chun-Gang Duan +6
Topological insulators (TIs) have been found in strained binary HgTe and ternary I-III-VI2 chalcopyrite compounds such as CuTlSe2 which have inverted band structures. However, the…
Microscopic Origins of Electron and Hole Stability in ZnO
C. Richard A. Catlow, Alexey A. Sokol, Aron Walsh
A novel and direct method is proposed to assess the doping limits of semiconducting materials. Applied to the case of ZnO, our first-principles calculations demonstrate that p-type…
Multi-component Transparent Conducting Oxides: Progress in Materials Modelling
Aron Walsh, Juarez L. F. Da Silva, Su-Huai Wei
Transparent conducting oxides (TCOs) play an essential role in modern optoelectronic devices through their combination of electrical conductivity and optical transparency. We revie…