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Diffusion of tellurium at nickel grain boundaries: a first-principles study 期刊论文
RSC ADVANCES, 2017, 卷号: 7, 期号: 14, 页码: 8421-8428
Authors:  Wang, CY;  Han, H;  Wickramaratne, D;  Zhang, W;  Wang, H;  Ye, XX;  Guo, YL;  Shao, K;  Huai, P
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A first-principles study on the defective properties of MAX phase Cr2AlC: the magnetic ordering and strong correlation effect 期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 87, 页码: 84262-84268
Authors:  Han, H;  Wickramaratne, D;  Huang, Q;  Dai, JX;  Li, TW;  Wang, H;  Zhang, W;  Huai, P;  Zhang, W (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.;  Wang, H (reprint author), Henan Univ Sci & Technol, Sch Phys & Engn, Luoyang 471003, Peoples R China.
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A comparative first-principles study of the electronic, mechanical, defect and acoustic properties of Ti2AlC and Ti3AlC 期刊论文
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2014, 卷号: 47, 期号: 21
Authors:  Tan, J;  Han, H;  Wickramaratne, D;  Liu, WG;  Zhao, MW;  Huai, P;  hanhanfudan@gmail.com;  huaiping@sinap.ac.cn
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Al-c System  Total-energy Calculations  Augmented-wave Method  Elastic Band Method  Ab-initio  Thermal-properties  Saddle-points  Basis-set  Ti  Temperature