[1] |
Xu Si-Yuan, Zhang Zhao-Fu, Wang Jun, Liu Xue-Fei, Guo Yu-Zheng.First-principles calculation of intrinsic point defects and doping performance of MoSi2N4. Acta Physica Sinica, 2024, 73(8): 086801.doi:10.7498/aps.73.20231931 |
[2] |
Liu Ru-Lin, Fang Liang, Hao Yue, Chi Ya-Qing.Density functional theory calculation of diffusion mechanism of intrinsic defects in rutile TiO2. Acta Physica Sinica, 2018, 67(17): 176101.doi:10.7498/aps.67.20180818 |
[3] |
Pan Feng-Chun, Xu Jia-Nan, Yang Hua, Lin Xue-Ling, Chen Huan-Ming.Ferromagnetism of undoped anatase TiO2 based on the first-principles calculations. Acta Physica Sinica, 2017, 66(5): 056101.doi:10.7498/aps.66.056101 |
[4] |
Lin Qiao-Lu, Li Gong-Ping, Xu Nan-Nan, Liu Huan, Wang Cang-Long.A first-principles study on magnetic properties of the intrinsic defects in rutile TiO2. Acta Physica Sinica, 2017, 66(3): 037101.doi:10.7498/aps.66.037101 |
[5] |
Liu Huan, Li Gong-Ping, Xu Nan-Nan, Lin Qiao-Lu, Yang Lei, Wang Cang-Long.A simulation study of structural and optical properties in Cu ions implantation single-crystal rutile. Acta Physica Sinica, 2016, 65(20): 206102.doi:10.7498/aps.65.206102 |
[6] |
Bai Jing, Wang Xiao-Shu, Zu Qi-Rui, Zhao Xiang, Zuo Liang.Defect stabilities and magnetic properties of Ni-X-In (X= Mn, Fe and Co) alloys: a first-principle study. Acta Physica Sinica, 2016, 65(9): 096103.doi:10.7498/aps.65.096103 |
[7] |
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.doi:10.7498/aps.64.224218 |
[8] |
Wang Qing-Bao, Zhang Zhong, Xu Xi-Jin, Lü Ying-Bao, Zhang Qin.Theoretical and experimental studies on N, Fe, La co-doped anatase TiO2 band adjustment. Acta Physica Sinica, 2015, 64(1): 017101.doi:10.7498/aps.64.017101 |
[9] |
Liu Fang, Jiang Zhen-Yi.First-principles study on the electronic and optical properties of the (Eu,N)-codoped anatase TiO2 photocatalyst. Acta Physica Sinica, 2013, 62(19): 193103.doi:10.7498/aps.62.193103 |
[10] |
Peng Li-Ping, Xia Zheng-Cai, Yang Chang-Quan.First-principles calculation of matal and nonmetal codoped anantase TiO2. Acta Physica Sinica, 2012, 61(12): 127104.doi:10.7498/aps.61.127104 |
[11] |
Cheng Ping, Zhang Yu-Ming, Zhang Yi-Men, Wang Yue-Hu, Guo Hui.Stability of the intrinsic defects in unintentionally doped 4H-SiC epitaxial layer. Acta Physica Sinica, 2010, 59(5): 3542-3546.doi:10.7498/aps.59.3542 |
[12] |
Wang Wei, Sun Jia-Fa, Liu Mei, Liu Su.First-principles calculations on the electronic band structure of β-Pyrochlore superconductors AOs2O6 (A=K,Rb,Cs). Acta Physica Sinica, 2009, 58(8): 5632-5639.doi:10.7498/aps.58.5632 |
[13] |
Li Sheng-Tao, Cheng Peng-Fei, Zhao-Lei, Li Jian-Ying.Study of intrinsic defects in ZnO varistor ceramics by dielectric spectroscopy. Acta Physica Sinica, 2009, 58(1): 523-528.doi:10.7498/aps.58.523 |
[14] |
Guan Li, Liu Bao-Ting, Li Xu, Zhao Qing-Xun, Wang Ying-Long, Guo Jian-Xin, Wang Shu-Biao.Electronic structure and optical properties of fluorite-structure TiO2. Acta Physica Sinica, 2008, 57(1): 482-487.doi:10.7498/aps.57.482 |
[15] |
Ma Xin-Guo, Jiang Jian-Jun, Liang Pei.Theoretical study of native point defects on anatase TiO2 (101) surface. Acta Physica Sinica, 2008, 57(5): 3120-3125.doi:10.7498/aps.57.3120 |
[16] |
Hou Xing-Gang, Liu An-Dong.First principles calculations on anatase implanted by V+. Acta Physica Sinica, 2007, 56(8): 4896-4900.doi:10.7498/aps.56.4896 |
[17] |
Ma Xin-Guo, Tang Chao-Qun, Huang Jin-Qiu, Hu Lian-Feng, Xue Xia, Zhou Wen-Bin.First-principle calculations on the geometry and relaxation structure of anatase TiO2(101) surface. Acta Physica Sinica, 2006, 55(8): 4208-4213.doi:10.7498/aps.55.4208 |
[18] |
Song Hong-Qiang, Chen Yan-Xue, Ren Miao-Juan, Ji Gang.Study of ferromagnetic semiconductor films: Ti1-xCoxO2. Acta Physica Sinica, 2005, 54(1): 369-372.doi:10.7498/aps.54.369 |
[19] |
Zhang Yong, Tang Chao-Qun, Dai Jun.Anatase TiO2 and red-shift introduced by doping with Fe:pseudopotential calculations and ultraviolet spectroscropy. Acta Physica Sinica, 2005, 54(1): 323-327.doi:10.7498/aps.54.323 |
[20] |
XU SU-JUAN, MEN SHOU-QIANG, WANG BIAO, LU KUN-QUAN.STUDY OF A ELECTRORHEOLOGICAL FLUID:TiO2 COATING GRAPHITE/SILICONE OIL. Acta Physica Sinica, 2000, 49(11): 2176-2179.doi:10.7498/aps.49.2176 |