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First principle calculations of XAl3 (X= Sc,Ti, Fe, Ni,Y, Zr and Ta) compounds: elastic and thermodynamic properties 期刊论文
OPTOELECTRONICS AND ADVANCED MATERIALS-RAPID COMMUNICATIONS, 2015, 卷号: 9, 期号: 42496, 页码: 754-761
作者:  Du Xiaoming;  Liu Fenggu;  Li Jing;  Wu Erdong;  du511@163.com
收藏  |  浏览/下载:113/0  |  提交时间:2016/04/21
Trialuminide Intennetallic Compounds  First-principles Calculations  Elastic Properties  Themodynamic Properties  
Ab initio investigation of ScMn2-H system 期刊论文
Optoelectronics and Advanced Materials-Rapid Communications, 2014, 卷号: 8, 期号: 3-4, 页码: 292-299
作者:  X. M. Du;  P. Ma;  W. D. Erdong
收藏  |  浏览/下载:129/0  |  提交时间:2014/07/03
Scmn2hx  Hydrogen Site  Stability  Electronic Structure  First-principles Calculations  Hydrogen Absorbing Properties  Brillouin-zone Integrations  Electronic-structure  Deuterium Atoms  Phase  Alloy  Hydrides  Storage  
First-principles calculations on structural and electronic properties of Al18Mg3M2 phases (M = Sc, Ti, Cr, Mn and Zr) 期刊论文
Optoelectronics and Advanced Materials-Rapid Communications, 2014, 卷号: 8, 期号: 9-10, 页码: 916-920
作者:  X. M. Du;  Z. B. Dong;  P. Ma;  E. D. Wu
收藏  |  浏览/下载:136/0  |  提交时间:2015/01/14
Al18mg3m2 Compounds  First-principle Calculation  Stability  Electronic  Structure  Brillouin-zone Integrations  Scandium  Systems  
Structural, electronic properties of ScMn2 alloy and its hydride from first-principles calculations 期刊论文
Optoelectronics and Advanced Materials-Rapid Communications, 2013, 卷号: 7, 期号: 7-8, 页码: 611-617
作者:  X. M. Du;  P. Ma;  E. D. Wu
收藏  |  浏览/下载:166/0  |  提交时间:2013/12/24
Scmn2 Alloy  Hydride  Electronic Structure  First-principles  Calculations  Generalized Gradient Approximation  Hydrogen Absorbing Properties  Brillouin-zone Integrations  Phase  Storage  Ni  
Structure and photoluminescence properties of the quasi-regular arrangements of porous silicon 期刊论文
Optoelectronics and Advanced Materials-Rapid Communications, 2011, 卷号: 5, 期号: 5-6, 页码: 495-498
作者:  T. Wang;  X. Li;  W. Feng;  W. Li;  C. Tao;  J. Wen
收藏  |  浏览/下载:78/0  |  提交时间:2012/04/13
Porous Silicon  Electrochemical Anodization  Quasi-regular Arrangement  Photoluminescence  P-type Silicon  Macroporous Silicon  Si Substrate  Alumina