[1] |
Cheng Chao, Wang Xun, Sun Jia-Xing, Cao Chao-Ming, Ma Yun-Li, Liu Yan-Xia.Electronic structure calculation of Cr content effect on corrosion resistance of Ti-Nb-Cr alloy. Acta Physica Sinica, 2018, 67(19): 197101.doi:10.7498/aps.67.20180956 |
[2] |
Hu Jie-Qiong, Xie Ming, Chen Jia-Lin, Liu Man-Men, Chen Yong-Tai, Wang Song, Wang Sai-Bei, Li Ai-Kun.First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases. Acta Physica Sinica, 2017, 66(5): 057102.doi:10.7498/aps.66.057102 |
[3] |
Niu Xue-Lian, Wang Li-Jiu, Sun Dan.The DFT analyses of effect of chromium and nickel additions on the mechanical properties of Fe3Al based alloys. Acta Physica Sinica, 2013, 62(3): 037104.doi:10.7498/aps.62.037104 |
[4] |
Pu Chun-Ying, Li Hong-Jing, Tang Xin, Zhang Qing-Yu.Optical properties of N-doped Cu2O films and relevant analysis with first-principles calculations. Acta Physica Sinica, 2012, 61(4): 047104.doi:10.7498/aps.61.047104 |
[5] |
Zhang Zhen-Duo, Hou Qing-Yu, Li Cong, Zhao Chun-Wang.First-principles study of the electronic structure and absorption spectrum of heavily Nd-doped anatase TiO2. Acta Physica Sinica, 2012, 61(11): 117102.doi:10.7498/aps.61.117102 |
[6] |
Sun Wei-Feng, Zheng Xiao-Xia.First-principles study of interface relaxation effects on interface structure, band structure and optical property of InAs/GaSb superlattices. Acta Physica Sinica, 2012, 61(11): 117301.doi:10.7498/aps.61.117301 |
[7] |
Sun Wei-Feng.First-principles study of (InAs)1/(GaSb)1 superlattice atomic chains. Acta Physica Sinica, 2012, 61(11): 117104.doi:10.7498/aps.61.117104 |
[8] |
Sun Wei-Feng, Zheng Xiao-Xia.First-principles study of (InAs)1/(GaSb)1 superlattice nanowires. Acta Physica Sinica, 2012, 61(11): 117103.doi:10.7498/aps.61.117103 |
[9] |
Su Rui, He Jie, Chen Jia-Sheng, Guo Ying-Jie.First principles study of the electronic structure and photoelectric properties of rutile vanadium dioxcide. Acta Physica Sinica, 2011, 60(10): 107101.doi:10.7498/aps.60.107101 |
[10] |
Lu Yao, Wang Pei-Ji, Zhang Chang-Wen, Jiang Lei, Zhang Guo-Lian, Song Peng.Material opto-electronic properties of In, N co-doped SnO2 studied by first principles. Acta Physica Sinica, 2011, 60(6): 063103.doi:10.7498/aps.60.063103 |
[11] |
Lu Yao, Wang Pei-Ji, Zhang Chang-Wen, Feng Xian-Yang, Jiang Lei, Zhang Guo-Lian.First-principles calculation on electronic structure and optical properties of iron-doped SnO2. Acta Physica Sinica, 2011, 60(11): 113101.doi:10.7498/aps.60.113101 |
[12] |
Zhang Hui, Xiao Ming-Zhu, Zhang Guo-Ying, Lu Guang-Xia, Zhu Sheng-Long.Interpretation of dehydrogenation ability of high-density hydrogen storage materials by density functional theory. Acta Physica Sinica, 2011, 60(2): 026103.doi:10.7498/aps.60.026103 |
[13] |
Deng Yong-He, Liu Jing-Shuo.Formation abilities and electronic properties of Mg-TM-H (TM = Sc, Ti, V, Y, Zr, Nb) crystal. Acta Physica Sinica, 2011, 60(11): 117102.doi:10.7498/aps.60.117102 |
[14] |
Yu Feng, Wang Pei-Ji, Zhang Chang-Wen.First-principles study of optical and electronic properties of N-doped SnO2. Acta Physica Sinica, 2010, 59(10): 7285-7290.doi:10.7498/aps.59.7285 |
[15] |
Liu Jun-Min, Sun Li-Zhong, Chen Yuan-Ping, Zhang Kai-Wang, Yuan Hui-Qiu, Zhong Jian-Xin.Electronic structure and bonding mechanism of La-Ir-Si: A first-principles study. Acta Physica Sinica, 2009, 58(11): 7826-7832.doi:10.7498/aps.58.7826 |
[16] |
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.doi:10.7498/aps.57.7145 |
[17] |
Xu Can, Cao Juan, Gao Chen-Yang.Calculation of structure and properties of one-dimensional silica nanomaterials based on first-principle. Acta Physica Sinica, 2006, 55(8): 4221-4225.doi:10.7498/aps.55.4221 |
[18] |
Lin Qiu-Bao, Li Ren-Quan, Zeng Yong-Zhi, Zhu Zi-Zhong.Electronic and magnetic properties of 3d transition-metal-doped Ⅲ-Ⅴ semiconductors:first-principle calculations. Acta Physica Sinica, 2006, 55(2): 873-878.doi:10.7498/aps.55.873 |
[19] |
Xu Xiao-Guang, Wang Chun-Zhong, Liu Wei, Meng Xing, Sun Yuan, Chen Gang.Ab initio study of the effects of Mg doping on electronic structure of Li(Co , Al)O2. Acta Physica Sinica, 2005, 54(1): 313-316.doi:10.7498/aps.54.313 |
[20] |
Xu Xiao-Guang, Wei Ying-Jin, Meng Xing, Wang Chun-Zhong, Huang Zu-Fei, Chen Gang.Ab initio study of the effects of Mg, Al dopingon the electronic structure of LiCoO2. Acta Physica Sinica, 2004, 53(1): 210-213.doi:10.7498/aps.53.210 |