@article{4c29a83a50c94fd2ab9dac112666f171,
title = "Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors",
abstract = "Using an all-electron band structure approach, we have systematically calculated the natural band offsets between all group IV, III-V, and II-VI semiconductor compounds, taking into account the deformation potential of the core states. This revised approach removes assumptions regarding the reference level volume deformation and offers a more reliable prediction of the {"}natural{"} unstrained offsets. Comparison is made to experimental work, where a noticeable improvement is found compared to previous methodologies.",
author = "Li, {Yong Hua} and Aron Walsh and Shiyou Chen and Yin, {Wan Jian} and Yang, {Ji Hui} and Jingbo Li and {Da Silva}, {Juarez L.F.} and Gong, {X. G.} and Wei, {Su Huai}",
note = "Funding Information: The work at NREL is funded by the U.S. Department of Energy (DOE), under Contract No. DE-AC36-08GO28308. The work at Fudan University is partially supported by the National Science Foundation of China and the Special Funds for Major State Basic Research.",
year = "2009",
doi = "10.1063/1.3143626",
language = "English",
volume = "94",
journal = "Applied Physics Letters",
issn = "0003-6951",
publisher = "American Institute of Physics",
number = "21",
}