方镁石新相结构及高压热力学特性的模拟研究

11464027
2014
A2002.凝聚态物质力热光电性质
宋婷
地区科学基金项目
副教授
兰州交通大学
50万元
高温高压;热力学特性;方镁石;结构相变;分子动力学模拟
2015-01-01到2018-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 新型过渡金属化合物超硬材料的高压结构诊断与物性模拟 奖励 孙小伟;宋婷;刘子江;魏小平;万桂新;杜三山;田俊红;王婷;李慧芳
2 Thermal expansion, heat capacity and Gruneisen parameter of iridium phosphide Ir2P from quasi-harmonic Debye model 期刊论文 Liu Z J;Song T;Sun X W;Ma Q;Wang T;Guo Y
3 Structural stability and thermodynamic properties of BSb under high pressure and temperature 期刊论文 Bioud Nadhira;Sun Xiao Wei;Daoud Salah;Song Ting;Liu Zi Jiang
4 High-pressure elastic properties of cubic Ir2P from ab initio calculations 期刊论文 Sun Xiao Wei;Bioud Nadhira;Fu Zhi Jian;Wei Xiao Ping;Song Ting;Li Zheng Wei
5 Electronic Structure, Phase Stability, and Elastic Properties of Inverse Heusler Compound Mn2RuSi at High Pressure 期刊论文 Song Ting;Tian Jun Hong;Ma Qin;Sun Xiao Wei;Liu Zi Jiang
6 High-pressure and high-temperature physical properties of half-metallic full-Heusler alloy Mn2RuSi by first-principles and quasi-harmonic Debye model 期刊论文 Song Ting;Ma Qin;Sun Xiao Wei;Liu Zi Jiang;Wei Xiao Ping;Tian Jun Hong
7 First-principles prediction of the equation of state for TcC with rocksalt structure 期刊论文 Sun Xiao Wei;Chu Yan Dong;Liu Zi Jiang;Song Ting;Tian Jun Hong;Wei Xiao Ping
8 Phase stability, electronic structure and equation of state of cubic TcN from first-principles calculations 期刊论文 Song T;Ma Q;Sun X W;Liu Z J;Fu Z J;Wei X P;Wang T;Tian J H
9 Atomistic simulation of the structural and elastic properties of magnesite 期刊论文 Liu Zi Jiang;Sun Xiao Wei;Song Ting;Guo Yuan;Zhang Cai Rong;Zhang Zheng Rong
10 Debye temperature, thermal expansion, and heat capacity of TcC up to 100 GPa 期刊论文 Song T;Ma Q;Tian J H;Liu X B;Ouyang Y H;Zhang C L;Su W F
11 Ti基哈斯勒合金的电子磁性以及热力学特性研究 奖励 魏小平;孙小伟;宋婷;田俊红;王小云
12 Stability, electronic and magnetic properties investigations on Zr(2)YZ (Y = Co, Cr, V and Z = Al, Ga, In, Pb, Sn, Tl) compounds 期刊论文 Wei Xiao Ping;Zhang Ya Ling;Wang Ting;Sun Xiao Wei;Song Ting;Guo Peng;Deng Jian Bo
13 Theoretical investigation on the high-pressure physical properties of ZnN in cubic zinc blende, rock salt, and cesium chloride structures 期刊论文 Tian J H;Song T;Sun X W;Wang T;Jiang G
14 High-pressure phase transition and thermodynamic properties from first-principles calculations: Application to cubic copper iodide 期刊论文 Bioud Nadhira;Kassali Kamel;Sun Xiao Wei;Song Ting;Khenata Rabah;Bin Omran Saad
15 Ferromagnetism and the Optical Properties of Mn-Doped CdSe with the Wurtzite Structure 期刊论文 Tian Jun Hong;Sun Xiao Wei;Song Ting;Ouyang Yu Hua;Wang Ting;Jiang Gang
16 The effect of pressure on the structural, electronic, magnetic, and thermodynamic properties of the Mn2RuGe inverse Heusler alloy 期刊论文 Song Ting;Sun Xiao Wei;Tian Jun Hong;Wei Xiao Ping;Wan Gui Xin;Ma Qin
17 High-pressure and high-temperature physical properties of LiF studied by density functional theory calculations and molecular dynamics simulations 期刊论文 Sun Xiao Wei;Liu Zi Jiang;Quan Wei Long;Song Ting;Khenata Rabah;Bin Omran Saad
18 First-Principles Study on the Half-Metallic Ferromagnetism and Optical Properties of Fe-Doped CdSe and Co-Doped CdSe 期刊论文 Tian J H;Song T;Sun X W;Wang T;Jiang G
19 High-temperature and high-pressure physical properties of CuI with zinc-blende phase by a systematic ab initio investigation 期刊论文 Bioud Nadhira;Sun Xiao Wei;Daoud Salah;Song Ting;Khenata Rabah;Bin Omran Saad
20 Phase transition and high-pressure thermodynamic properties of CdN derived from first-principles and quasi-harmonic Debye model 期刊论文 Tian J H;Sun X W;Song T;Khenata R;Bin Omran S;Quan W L;Zhao Y N;Jiang G
21 The electronic and magnetic properties of defects on half-metallic Ti2NiIn alloy 期刊论文 Wei Xiao Ping;Zhang Ya Ling;Sun Xiao Wei;Song Ting;Guo Peng
22 Studying the phase transition, thermal expansion, and heat capacity of technetium mononitride by first-principles calculations 期刊论文 Liu Z J;Sun X W;Song T;Ma Q;Guo Y
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