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Liu Jun-Ling, Bai Yu-Jie, Xu Ning, Zhang Qin-Fang. First-principles study on electronic structure of GaS/Mg(OH)2 heterostructure. Acta Physica Sinica,
2024, 73(13): 137103.
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Ding Chao, Li Wei1\2\3, Liu Ju-Yan, Wang Lin-Lin, Cai Yun, Pan Pei-Feng. First principle study of electronic structure of Sb, S Co-doped SnO2. Acta Physica Sinica,
2018, 67(21): 213102.
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Yang Liang, Wang Cai-Zhuang, Lin Shi-Wei, Cao Yang. First-principles investigation of oxygen diffusion mechanism in -titanium crystals. Acta Physica Sinica,
2017, 66(11): 116601.
doi: 10.7498/aps.66.116601
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Xue Li, Ren Yi-Ming. The first-principles study of electrical and thermoelectric properties of CuGaTe2 and CuInTe2. Acta Physica Sinica,
2016, 65(15): 156301.
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Pan Feng-Chun, Lin Xue-Ling, Chen Huan-Ming. Electronic structure and optical properties of C doped rutile TiO2: the first-principles calculations. Acta Physica Sinica,
2015, 64(22): 224218.
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Xu Jing, Liang Jia-Qing, Li Hong-Ping, Li Chang-Sheng, Liu Xiao-Juan, Meng Jian. First-principles study on the electronic structure of Ti-doped NbSe2. Acta Physica Sinica,
2015, 64(20): 207101.
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Cheng Xu-Dong, Wu Hai-Xin, Tang Xiao-Lu, Wang Zhen-You, Xiao Rui-Chun, Huang Chang-Bao, Ni You-Bao. First principles study on the electronic structures and optical properties of Na2Ge2Se5. Acta Physica Sinica,
2014, 63(18): 184208.
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Xie Zhi, Cheng Wen-Dan. First-principles study of electronic structure and optical properties of TiO2 nanotubes. Acta Physica Sinica,
2014, 63(24): 243102.
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Wu Mu-Sheng, Xu Bo, Liu Gang, Ouyang Chu-Ying. First-principles study on the electronic structures of Cr- and W-doped single-layer MoS2. Acta Physica Sinica,
2013, 62(3): 037103.
doi: 10.7498/aps.62.037103
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Hou Qing-Yu, Wu Yun Ge Ri, Zhao Chun-Wang. Effects of the concentration of heavily oxygen vacancy of rutile TiO2 on electric conductivity performance from first principles study. Acta Physica Sinica,
2013, 62(16): 167201.
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Wang Yin, Feng Qing, Wang Wei-Hua, Yue Yuan-Xia. First-principles study on the electronic and optical property of C-Zn co-doped anatase TiO2. Acta Physica Sinica,
2012, 61(19): 193102.
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Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhao Chun-Wang, Zhang Bing. First-principles study on the electronic structures and absorption spectra of Sm-N codoped anatase TiO2. Acta Physica Sinica,
2012, 61(16): 167103.
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Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhang Bing. First-principles study on the doped concentration effect on electron lifespan and absorption spectrum of Eu-doping anatase TiO2. Acta Physica Sinica,
2012, 61(7): 077102.
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He Xu, He Lin, Tang Ming-Jie, Xu Ming. Effects of the vacancy point-defect on electronic structure and optical properties of LiF under high pressure: A first principles investigation. Acta Physica Sinica,
2011, 60(2): 026102.
doi: 10.7498/aps.60.026102
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Yu Da-Long, Chen Yu-Hong, Cao Yi-Jie, Zhang Cai-Rong. Ab initio structural simulation and electronic structure of lithium imide. Acta Physica Sinica,
2010, 59(3): 1991-1996.
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Yang Chong, Yang Chun. First-principles study of atomic and electronic structures of the silicon oxide clusters on Si(001) surfaces. Acta Physica Sinica,
2009, 58(8): 5362-5369.
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Zhang Ji-Hua, Ding Jian-Wen, Lu Zhang-Hui. First-principles study of electrical structures and optical properties of Co:MgF2 crystal. Acta Physica Sinica,
2009, 58(3): 1901-1907.
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Liu Na-Na, Song Ren-Bo, Sun Han-Ying, Du Da-Wei. The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations. Acta Physica Sinica,
2008, 57(11): 7145-7150.
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Hou Qing-Yu, Zhang Yue, Zhang Tao. First-principles research on the effect of high oxygen vacancy concentration in anatase TiO2 on Mott phase transition， absorption spectrum Einstein shift and life_time of electrons. Acta Physica Sinica,
2008, 57(3): 1862-1866.
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Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng. A first-principle study of electronic and geometrical structures of semiconducting β-FeSi2 with doping. Acta Physica Sinica,
2005, 54(11): 5308-5313.
doi: 10.7498/aps.54.5308
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