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Qin Wen-Jing, Xu Bo, Sun Bao-Zhen, Liu Gang. First principles study of electrical and magnetic properties of two-dimensional ferromagnetic semiconductors CrI3 adsorbed by atoms. Acta Physica Sinica,
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Hou Lu, Tong Xin, Ouyang Gang. First-principles study of atomic bond nature of one-dimensional carbyne chain under different strains. Acta Physica Sinica,
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Lin Qi-Min, Zhang Xia, Lu Qi-Chao, Luo Yan-Bin, Cui Jian-Gong, Yan Xin, Ren Xiao-Min, Huang Xue. First-principles study on structural stability of graphene oxide and catalytic activity of nitric acid. Acta Physica Sinica,
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Huang Can, Li Xiao-Ying, Zhu Yan, Pan Yan-Fei, Fan Ji-Yu, Shi Da-Ning, Ma Chun-Lan. First principle study of weak Dzyaloshinsky-Moriya interaction in Co/BN surface. Acta Physica Sinica,
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Tan Xing-Yi, Wang Jia-Heng, Zhu Yi-Yi, Zuo An-You, Jin Ke-Xin. First-principles calculations of phosphorene doped with carbon, oxygen and sulfur. Acta Physica Sinica,
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Wang Ai-Ling, Wu Zhi-Min, Wang Cong, Hu Ai-Yuan, Zhao Ruo-Yu. First-priciples study on Mn-doped LiZnAs, a new diluted magnetic semiconductor. Acta Physica Sinica,
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Huang You-Lin, Hou Yu-Hua, Zhao Yu-Jun, Liu Zhong-Wu, Zeng De-Chang, Ma Sheng-Can. Influences of strain on electronic structure and magnetic properties of CoFe2O4 from first-principles study. Acta Physica Sinica,
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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,
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Hu Yu-Ping, Ping Kai-Bin, Yan Zhi-Jie, Yang Wen, Gong Chang-Wei. First-principles calculations of structure and magnetic properties of -Fe(Si)phase precipitated in the Finemet alloy. Acta Physica Sinica,
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Jiang Xue-Fan, Luo Li-Jin, Jiang Qing, Zhong Chong-Gui, Tan Zhi-Zhong, Quan Hong-Rui. First-principle prediction of magnetic shape memory effect of Heusler alloy Mn2NiGe. Acta Physica Sinica,
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Sun Wei-Feng, Li Mei-Cheng, Zhao Lian-Cheng. Phonon band structure and electron-phonon interactions in Ga and Sb nanowires: a first-principles study. Acta Physica Sinica,
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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,
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Lin Zhu, Guo Zhi-You, Bi Yan-Jun, Dong Yu-Cheng. Ferromagnetism and the optical properties of Cu-doped AlN from first-principles study. Acta Physica Sinica,
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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,
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Wei Qun, Yang Zi-Yuan, Wang Can-Jun, Xu Qi-Ming. Investigations of lattice distortion and spin-Hamiltonian parameters for V3+ in Al2O3 crystal. Acta Physica Sinica,
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Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng. First-principles study of electronic structure for CoSi. Acta Physica Sinica,
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Dai Yao-Dong, He Yun, Huang Hong-Bo, Shao Ting, Xia Yuan-Fu. Synthesis and magnetism of the intercalation compound Fe0.95PS3(MV)0.11. Acta Physica Sinica,
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