[1] |
Li Qiao-Li, Li Shen-Shen, Xiao Ji-Jun, Chen Zhao-Xu.First-principles study on the structure and stability of (H2dabco)[K(ClO4)3] under hydrostatic pressure. Acta Physica Sinica, 2024, 73(14): 143101.doi:10.7498/aps.73.20240477 |
[2] |
Zhang Shuo-Xin, Liu Shi-Yu, Yan Da-Li, Yu Qian, Ren Hai-Tao, Yu Bin, Li De-Jun.First-principles study of structural stability and mechanical properties of Ta1–xHfxC and Ta1–xZrxC solid solutions. Acta Physica Sinica, 2021, 70(11): 117102.doi:10.7498/aps.70.20210191 |
[3] |
Xing Hai-Ying, Zheng Zhi-Jian, Zhang Zi-Han, Wu Wen-Jing, Guo Zhi-Ying.Tunable electronic structure and optical properties of BlueP/XTe2(X= Mo, W) van der Waals heterostructures by strain. Acta Physica Sinica, 2021, 70(6): 067101.doi:10.7498/aps.70.20201728 |
[4] |
Lin Hong-Bin, Lin Chun, Chen Yue, Zhong Ke-Hua, Zhang Jian-Min, Xu Gui-Gui, Huang Zhi-Gao.First-principles study of effect of Mg doping on structural stability and electronic structure of LiCoO2cathode material. Acta Physica Sinica, 2021, 70(13): 138201.doi:10.7498/aps.70.20210064 |
[5] |
Liu Na, Wei Yang, Ma Xin-Guo, Zhu Lin, Xu Guo-Wang, Chu Liang, Huang Chu-Yun.Theoretical study on the stability and photoelectric properties of APbI3 perovskite. Acta Physica Sinica, 2017, 66(5): 057103.doi:10.7498/aps.66.057103 |
[6] |
Ma Zhen-Ning, Zhou Quan, Wang Qing-Jie, Wang Xun, Wang Lei.First-principles study of the thermodynamic stabilities and electronic structures of long-period stacking ordered phases in Mg-Y-Cu alloys. Acta Physica Sinica, 2016, 65(23): 236101.doi:10.7498/aps.65.236101 |
[7] |
He Yan-Bin, Jia Jian-Feng, Wu Hai-Shun.First-principles study of stability and electronic structure of N2H4 adsorption on NiFe(111) alloy surface. Acta Physica Sinica, 2015, 64(20): 203101.doi:10.7498/aps.64.203101 |
[8] |
Ma Zhen-Ning, Jiang Min, Wang Lei.First-principles study of electronic structures and phase stabilities of ternary intermetallic compounds in the Mg-Y-Zn alloys. Acta Physica Sinica, 2015, 64(18): 187102.doi:10.7498/aps.64.187102 |
[9] |
Wang Zhuan-Yu, Kang Wei-Li, Jia Jian-Feng, Wu Hai-Shun.Structure and stability of Ti2Bn (n=1-10) clusters: an ab initio investigation. Acta Physica Sinica, 2014, 63(23): 233102.doi:10.7498/aps.63.233102 |
[10] |
Yang Jian-Hui, Chen Yan-Xing, Wu Li-Hui, Wei Shi-Hao.First-principles study on stability and electronic properties of MC and Mn+1ACn phases. Acta Physica Sinica, 2014, 63(23): 237301.doi:10.7498/aps.63.237301 |
[11] |
Zhou Shu-Lan, Zhao Xian, Jiang Xiang-Ping, Han Xiao-Dong.Electronic structures and phase instabilities of cubic Na1/2Bi1/2TiO3 and K1/2Bi1/2TiO3: a first-principles comparative study. Acta Physica Sinica, 2014, 63(16): 167101.doi:10.7498/aps.63.167101 |
[12] |
Tang Chun-Mei, Guo Wei, Zhu Wei-Hua, Liu Ming-Yi, Zhang Ai-Mei, Gong Jiang-Feng, Wang Hui.Density functional calculations of geomatric structure, electronic structure, stability, and magnetic properties of transitional atom endohedral unclassical fullerene M@C22(M=Sc,Ti, V, Cr, Mn, Fe, Co and Ni). Acta Physica Sinica, 2012, 61(2): 026101.doi:10.7498/aps.61.026101 |
[13] |
Song Jian, Li Feng, Deng Kai-Ming, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Wu Hai-Ping.Density functional study on the stability and electronic structure of single layer Si6H4Ph2. Acta Physica Sinica, 2012, 61(24): 246801.doi:10.7498/aps.61.246801 |
[14] |
Tang Xin, Zhang Qing-Yu, Lü Hai-Feng, Pu Chun-Ying.First-principles study on the electronic structures and structural stability of Cd-doped ZnO. Acta Physica Sinica, 2011, 60(3): 037101.doi:10.7498/aps.60.037101 |
[15] |
Gao Tan-Hua, Wu Shun-Qing, Hu Chun-Hua, Zhu Zi-Zhong.The structural stability and electronic properties of monolayer BC2N. Acta Physica Sinica, 2011, 60(12): 127305.doi:10.7498/aps.60.127305 |
[16] |
Wang Yong-Long, Pan Hong-Zhe, Xu Ming, Chen Li, Sun Yuan-Yuan.Electronic structure and magnetism of single-layer trigonal graphene quantum dots with zigzag edges. Acta Physica Sinica, 2010, 59(9): 6443-6449.doi:10.7498/aps.59.6443 |
[17] |
Wang Zhi-Gang, Zhang Yang, Wen Yu-Hua, Zhu Zi-Zhong.First-principles calculation of structural stability and electronic properties of ZnO atomic chains. Acta Physica Sinica, 2010, 59(3): 2051-2056.doi:10.7498/aps.59.2051 |
[18] |
Wang Song-You, Duan Guo-Yu, Qiu Jian-Hong, Jia Yu, Chen Liang-Yao.PtN in zinc-blende structure: An unstable metallic transition-metal nitride compound. Acta Physica Sinica, 2006, 55(4): 1979-1982.doi:10.7498/aps.55.1979 |
[19] |
Shen Han-Xin, Cai Na-Li, Wen Yu-Hua, Zhu Zi-Zhong.Structural stability and electronic structures of Nb atomic chains. Acta Physica Sinica, 2005, 54(11): 5362-5366.doi:10.7498/aps.54.5362 |
[20] |
WANG LI-MIN, LUO YING, MA BEN-KUN.ELECTRONIC STRUCTURE OF DOUBLE QUANTUM-DOT MOLECULE. Acta Physica Sinica, 2001, 50(2): 278-286.doi:10.7498/aps.50.278 |