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Jiang Nan, Li Ao-Lin, Qu Shui-Xian, Gou Si, Ouyang Fang-Ping.First principles study of magnetic transition of strain induced monolayer NbSi2N4. Acta Physica Sinica, 2022, 71(20): 206303.doi:10.7498/aps.71.20220939 |
[2] |
Tian Cheng, Lan Jian-Xiong, Wang Cang-Long, Zhai Peng-Fei, Liu Jie.First-principles study of phase transition of BaF2under high pressue. Acta Physica Sinica, 2022, 71(1): 017102.doi:10.7498/aps.71.20211163 |
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.Phase transition of BaF2 under high pressue studied by a first-principles study. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211163 |
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Yang Yan-Min, Li Jia, Ma Hong-Ran, Yang Guang, Mao Xiu-Juan, Li Cong-Cong.First-principles study of structure, electronic structure and thermoelectric properties for Co2-based Heusler alloys Co2FeAl1–xSix(x = 0.25, x = 0.5, x = 0.75). Acta Physica Sinica, 2019, 68(4): 046101.doi:10.7498/aps.68.20181641 |
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Hou Qing-Yu, Li Yong, Zhao Chun-Wang.First-principles study of Al-doped and vacancy on the magnetism of ZnO. Acta Physica Sinica, 2017, 66(6): 067202.doi:10.7498/aps.66.067202 |
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Yao Zhong-Yu, Sun Li, Pan Meng-Mei, Sun Shu-Juan.First-principle studies of half-metallicities and magnetisms of the semi-Heusler alloys CoCrTe and CoCrSb. Acta Physica Sinica, 2016, 65(12): 127501.doi:10.7498/aps.65.127501 |
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Li Cheng-Di, Zhao Jing-Long, Zhong Chong-Gui, Dong Zheng-Chao, Fang Jing-Huai.First-principles study of magnetic ground state of quantum paraelectric EuTiO3 material. Acta Physica Sinica, 2014, 63(8): 087502.doi:10.7498/aps.63.087502 |
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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.doi:10.7498/aps.62.087104 |
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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.doi:10.7498/aps.61.197102 |
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Gao Tan-Hua, Lu Dao-Ming, Wu Shun-Qing, Zhu Zi-Zhong.First-principles calculations of magnetism of Fe atomic sheet. Acta Physica Sinica, 2011, 60(4): 047502.doi:10.7498/aps.60.047502 |
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Luo Li-Jin, Zhong Chong-Gui, Fang Jing-Huai, Zhao Yong-Lin, Zhou Peng-Xia, Jiang Xue-Fan.Responses of electronic structure and magnetism to tetragonal distortion and their influence on pressure for the Heusler alloy Mn2 NiAl. Acta Physica Sinica, 2011, 60(12): 127502.doi:10.7498/aps.60.127502 |
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Zhang Fu-Chun, Zhang Wei-Hu, Dong Jun-Tang, Zhang Zhi-Yong.Electronic structure and magnetism of Cr-doped ZnO nanowires. Acta Physica Sinica, 2011, 60(12): 127503.doi:10.7498/aps.60.127503 |
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Cheng Zhi-Da, Zhu Jing, Sun Tie-Yu.Stability and magnetism of fcc single-crystal nickel nanowires by first principles calculations. Acta Physica Sinica, 2011, 60(3): 037504.doi:10.7498/aps.60.037504 |
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Wang Yu-Mei, Pei Hui-Xia, Ding Jun, Wen Li-Wei.First-principles study of magnetism and electronic structureof Sb-containing half-Heusler alloys. Acta Physica Sinica, 2011, 60(4): 047110.doi:10.7498/aps.60.047110 |
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Ji Zheng-Hua, Zeng Xiang-Hua, Cen Jie-Ping, Tan Ming-Qiu.Electronic structure and phase transformation in ZnSe: An ab initio study. Acta Physica Sinica, 2010, 59(2): 1219-1224.doi:10.7498/aps.59.1219 |
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Lu Zhi-Peng, Zhu Wen-Jun, Lu Tie-Cheng, Liu Shao-Jun, Cui Xin-Lin, Chen Xiang-Rong.The mechanism of structure phase transition from α Fe to ε Fe under uniaxial strain: First-principles calculations. Acta Physica Sinica, 2010, 59(6): 4303-4312.doi:10.7498/aps.59.4303 |
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Chen Shan, Wu Qing-Yun, Chen Zhi-Gao, Xu Gui-Gui, Huang Zhi-Gao.Ferromagnetism of C doped ZnO: first-principles calculation and Monte Carlo simulation. Acta Physica Sinica, 2009, 58(3): 2011-2017.doi:10.7498/aps.58.2011 |
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Wang Hai-Yan, Cui Hong-Bao, Li Chang-Yun, Li Xu-Sheng, Wang Kuang-Fei.First-principles studies of the phase transition and thermodynamic properties of AlAs. Acta Physica Sinica, 2009, 58(8): 5598-5603.doi:10.7498/aps.58.5598 |
[19] |
Lu Zhi-Peng, Zhu Wen-Jun, Liu Shao-Jun, Lu Tie-Cheng, Chen Xiang-Rong.Structure phase transition from α to ε in Fe under non-hydrostatic pressure: an ab initio study. Acta Physica Sinica, 2009, 58(3): 2083-2089.doi:10.7498/aps.58.2083 |
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Wang Jin-Zhi, Fang Qing-Qing.Structure phase transition and magnetic properties of nanocrystalline Zn0.6CoxFe2.4-xO4. Acta Physica Sinica, 2004, 53(9): 3186-3190.doi:10.7498/aps.53.3186 |