[1] |
Zhou Jia-Jian, Zhang Yu-Wen, He Chao-Yu, Ouyang Tao, Li Jin, Tang Chao.First-principles study of structure prediction and electronic properties of two-dimensional SiP2allotropes. Acta Physica Sinica, 2022, 71(23): 236101.doi:10.7498/aps.71.20220853 |
[2] |
Zhang Ying, Liu Chun-Sheng.Theoretical study of optical and electronic properties of silicether/graphether heterostructure. Acta Physica Sinica, 2021, 70(12): 123102.doi:10.7498/aps.70.20202193 |
[3] |
Zhang Xiao-Chao, Guan Mei-Hua, Zhang Qi-Rui, Zhang Chang-Ming, Li Rui, Liu Jian-Xin, Wang Ya-Wen, Fan Cai-Mei.First-principles study of single-atom Pt adsorption on BiOBr{001} surface with different atomic exposure terminations. Acta Physica Sinica, 2021, 70(8): 087101.doi:10.7498/aps.70.20201572 |
[4] |
Chen Lu, Li Ye-Fei, Zheng Qiao-Ling, Liu Qing-Kun, Gao Yi-Min, Li Bo, Zhou Chang-Meng.Theoretical study of atomic relaxation, surface energy, electronic structure and properties of B2- and B19'-NiTi surfaces. Acta Physica Sinica, 2019, 68(5): 053101.doi:10.7498/aps.68.20181944 |
[5] |
Zuo Bo-Min, Yuan Jian-Mei, Feng Zhi, Mao Yu-Liang.First-principles study of five isomers of two-dimensional GeSe under in-plane strain. Acta Physica Sinica, 2019, 68(11): 113103.doi:10.7498/aps.68.20182266 |
[6] |
Chen Qing-Ling, Dai Zhen-Hong, Liu Zhao-Qing, An Yu-Feng, Liu Yue-Lin.First-principles study on the structure stability and doping performance of double layer h-BN/Graphene. Acta Physica Sinica, 2016, 65(13): 136101.doi:10.7498/aps.65.136101 |
[7] |
Liu Bo, Wang Xuan-Jun, Bu Xiao-Yu.First principles investigations of structural, electronic and elastic properties of ammonium perchlorate under high pressures. Acta Physica Sinica, 2016, 65(12): 126102.doi:10.7498/aps.65.126102 |
[8] |
Peng Jun-Hui, Zeng Qing-Feng, Xie Cong-Wei, Zhu Kai-Jin, Tan Jun-Hua.High-pressure structure prediction of Hf-C system and first-principle simulation of their electronic properties. Acta Physica Sinica, 2015, 64(23): 236102.doi:10.7498/aps.64.236102 |
[9] |
Peng Qiong, He Chao-Yu, Li Jin, Zhong Jian-Xin.First-principles study of electronic properties of MoSi2 thin films. Acta Physica Sinica, 2015, 64(4): 047102.doi:10.7498/aps.64.047102 |
[10] |
Feng Xiao-Qin, Jia Jian-Ming, Chen Gui-Bin.Electronic properties and modulation of structurally bent BN nanoribbon. Acta Physica Sinica, 2014, 63(3): 037101.doi:10.7498/aps.63.037101 |
[11] |
Zhao Li-Kai, Zhao Er-Jun, Wu Zhi-Jian.First-principles calculations of structural thermodynamic and mechanical properties of 5d transitional metal diborides. Acta Physica Sinica, 2013, 62(4): 046201.doi:10.7498/aps.62.046201 |
[12] |
Xiao Hua-Ping, Chen Yuan-Ping, Yang Kai-Ke, Wei Xiao-Lin, Sun Li-Zhong, Zhong Jian-Xin.Electronic properties of disordered bilayer hexagonal boron nitride quantum films. Acta Physica Sinica, 2012, 61(17): 178101.doi:10.7498/aps.61.178101 |
[13] |
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.doi:10.7498/aps.61.193102 |
[14] |
Li Qing-Kun, Sun Yi, Zhou Yu, Zeng Fan-Lin.First principles study of the uniaxial compressive strength of bct-C4 carbon allotrope. Acta Physica Sinica, 2012, 61(9): 093104.doi:10.7498/aps.61.093104 |
[15] |
Li Qing-Kun, Sun Yi, Zhou Yu, Zeng Fan-Lin.First principles study on the structure and mechanical properties of hcp-C3 carbon bulk ring. Acta Physica Sinica, 2012, 61(4): 043103.doi:10.7498/aps.61.043103 |
[16] |
Yang Min, Wang Liu-Ding, Chen Guo-Dong, An Bo, Wang Yi-Jun, Liu Guang-Qing.First-principles study on field emission of C-doped capped single-walled BNNT. Acta Physica Sinica, 2009, 58(10): 7151-7155.doi:10.7498/aps.58.7151 |
[17] |
Wang Liu-Ding, Chen Guo-Dong, Zhang Jiao-Qiang, Yang Min, Wang Yi-Jun, An Bo.First-principles study on field emission properties of carbon nanocone. Acta Physica Sinica, 2009, 58(11): 7852-7856.doi:10.7498/aps.58.7852 |
[18] |
Chen Guo-Dong, Wang Liu-Ding, An Bo, Yang Min.First principles study of electron field emission from the system of BN nano tuber capped and doped with carbon atom. Acta Physica Sinica, 2009, 58(13): 254-S258.doi:10.7498/aps.58.254 |
[19] |
Jing Qun, Zhang Jun, Wang Qing-Lin, Luo You-Hua.First principles study of lowest energy structures and electronic properties of GenB(n=12—19) clusters. Acta Physica Sinica, 2007, 56(8): 4477-4483.doi:10.7498/aps.56.4477 |
[20] |
Ge Gui-Xian, Jing Qun, Yang Zhi, Yan Yu-Li, Lei Xue-Ling, Zhao Wen-Jie, Wang Qing-Lin, Luo You-Hua.First-principles study of the lowest energy structures and electronic properties of NaBen (n=1—12) clusters. Acta Physica Sinica, 2006, 55(9): 4548-4552.doi:10.7498/aps.55.4548 |