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Peer-reviewed journal papers | Conference   *   Shell DFT-1/2 | Ferroelectrics
 
     
  127. (2023g) Hanli Cui, Shengxin Yang, Kan-Hao Xue*, Jinhai Huang, and Xiangshui Miao,

On the self-consistency of DFT-1/2,

Journal of Chemical Physics 158, 094103 (2023).


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  112. (2022k) Shengxin Yang, Xiaobi Wang, Yongfeng Liu, Jia Wu, Wenhong Zhou, Xiangshui Miao, Li Huang*, and Kan-Hao Xue*,

Enabling ab initio material design of InAs/GaSb superlattices for infrared detection,

Physical Review Applied 18, 024058 (2022).


Impact Factor: 4.931

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  111. (2022j) Ge-Qi Mao, Zhao-Yi Yan, Kan-Hao Xue*, Zhengwei Ai, Shengxin Yang, Hanli Cui, Jun-Hui Yuan, Tian-Ling Ren, and Xiangshui Miao,

DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity,

Journal of Physics: Condensed Matter 34, 403001 (2022).


Impact Factor: 2.745

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  109. (2022h) Hanli Cui, Shengxin Yang, Jun-Hui Yuan*, Li-Heng Li, Fan Ye, Jinhai Huang, Kan-Hao Xue*, and Xiangshui Miao,

Shell DFT-1/2 method towards engineering accuracy for semiconductors: GGA versus LDA,

Computational Materials Science 213, 111669 (2022).


Impact Factor: 3.572

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  50. (2018l) Jun-Hui Yuan, Qi Chen, Leonardo R C Fonseca, Ming Xu, Kan-Hao Xue*, and Xiang-Shui Miao,

GGA-1/2 self-energy correction for accurate band structure calculations: the case of resistive switching oxides,

Journal of Physics Communications 2, 105005 (2018).


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Copyright (2018) the authors, published by Institute of Physics, UK. This article is an OPEN ACCESS article and may be found at http://iopscience.iop.org/article/10.1088/2399-6528/aade7e.
 
     
  48. (2018j) Kan-Hao Xue*, Jun-Hui Yuan, Leonardo R.C. Fonseca, and Xiang-Shui Miao,

Improved LDA-1/2 method for band structure calculations in covalent semiconductors,

Computational Materials Science 153, 493 (2018).


Impact Factor: 3.572

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