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Yuan Wen-Ling, Yao Bi-Xia, Li Xi, Hu Shun-Bo, Ren Wei. First principles study on structural stability, mechanical, and thermodynamic properties of γ'-Co3(V, M) (M = Ti, Ta) phase. Acta Physica Sinica,
2024, 73(8): 086104.
doi: 10.7498/aps.73.20231755
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Fu Xian-Kai, Chen Wan-Qi, Jiang Zhong-Sheng, Yang Bo, Zhao Xiang, Zuo Liang. First-principles investigation on elastic, electronic, and optical properties of Ti3O5. Acta Physica Sinica,
2019, 68(20): 207301.
doi: 10.7498/aps.68.20190664
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Deng Shi-Jie, Zhao Yu-Hong, Hou Hua, Wen Zhi-Qin, Han Pei-De. Structural, mechanical and thermodynamic properties of Ti2AlX (X= C, N) at high pressure. Acta Physica Sinica,
2017, 66(14): 146101.
doi: 10.7498/aps.66.146101
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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
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Wu Ruo-Xi, Liu Dai-Jun, Yu Yang, Yang Tao. First-principles investigations on structure and thermodynamic properties of CaS under high pressures. Acta Physica Sinica,
2016, 65(2): 027101.
doi: 10.7498/aps.65.027101
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Shao Dong-Yuan, Hui Qun, Li Xiao, Chen Jing-Jing, Li Chun-Mei, Cheng Nan-Pu. First-principles study on the elastic and thermal properties of Ca0.5Sr0.5TiO3. Acta Physica Sinica,
2015, 64(20): 207102.
doi: 10.7498/aps.64.207102
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Zhai Dong, Wei Zhao, Feng Zhi-Fang, Shao Xiao-Hong, Zhang Ping. Properties of Cu1-xWx alloys at high pressure and high temperature from first-principles calculations. Acta Physica Sinica,
2014, 63(20): 206501.
doi: 10.7498/aps.63.206501
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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.
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Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua. First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica,
2013, 62(8): 087104.
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Yan Xiao-Zhen, Kuang Xiao-Yu, Mao Ai-Jie, Kuang Fang-Guang, Wang Zhen-Hua, Sheng Xiao-Wei. First-principles study on the elastic, electronic and thermodynamic properties of ErNi2B2C under high pressure. Acta Physica Sinica,
2013, 62(10): 107402.
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Yu Ben-Hai, Chen Dong. First-principles study on the electronic structure and phase transition of α-, β- and γ-Si3N4. Acta Physica Sinica,
2012, 61(19): 197102.
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Zhao Rong-Da, Zhu Jing-Chuan, Liu Yong, Lai Zhong-Hong. First-principles study of FeAl(B2) microalloyed with La, Ac, Sc and Y. Acta Physica Sinica,
2012, 61(13): 137102.
doi: 10.7498/aps.61.137102
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Wang Bin, Liu Ying, Ye Jin-Wen. First-principle calculations of elastic, electronic and thermodynamic properties of TiC under high pressure. Acta Physica Sinica,
2012, 61(18): 186501.
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Su Rui, Long Yao, Jiang Sheng-Li, He Jie, Chen Jun. Elastic properties of β-HMX under extra pressure: a first principles study. Acta Physica Sinica,
2012, 61(20): 206201.
doi: 10.7498/aps.61.206201
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Yang Ze-Jin, Linghu Rong-Feng, Cheng Xin-Lu, Yang Xiang-Dong. First-principles investigations on the electronic, elastic and thermodynamic properties of Cr2MC(M=Al, Ga). Acta Physica Sinica,
2012, 61(4): 046301.
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Fan Kai-Min, Yang Li, Peng Shu-Ming, Long Xing-Gui, Wu Zhong-Cheng, Zu Xiao-Tao. First-principles calculation for elastic constantsof α-ScDx(D=H, He). Acta Physica Sinica,
2011, 60(7): 076201.
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Li Xiao-Feng, Liu Zhong-Li, Peng Wei-Min, Zhao A-Ke. Elastic and thermodynamic properties of CaPo under pressure via first-principles calculations. Acta Physica Sinica,
2011, 60(7): 076501.
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Yu Ben-Hai, Liu Mo-Lin, Chen Dong. First principles study of structural, electronic and elastic properties of Mg2 Si polymorphs. Acta Physica Sinica,
2011, 60(8): 087105.
doi: 10.7498/aps.60.087105
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Li Shi-Na, Liu Yong. First-principles calculation of elastic and thermodynamic properties of copper nitride. Acta Physica Sinica,
2010, 59(10): 6882-6888.
doi: 10.7498/aps.59.6882
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Li Xiao-Feng, Ji Guang-Fu, Peng Wei-Min, Shen Xiao-Meng, Zhao Feng. Elastic constants, electronic structure and optical properties of solid krypton under pressure by first-principles calculations. Acta Physica Sinica,
2009, 58(4): 2660-2666.
doi: 10.7498/aps.58.2660
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