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浏览/检索结果: 共9条，第1-9条 帮助 限定条件 学科主题：Materials Science, Multidisciplinary     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Influence of atomic mixing and atomic order on molar volume of the binary sigma phase 期刊论文 INTERMETALLICS, 2018, 卷号: 98, 页码: 95-105 作者:  Liu, W;  Lu, XG;  Boulet, P;  Record, MC;  Wang, H 收藏  |  浏览/下载：19/0  |  提交时间：2018/12/25 Sigma phase  Molar volume  Atomic order  Order degree  Atomic mixing  EMTO-CPA   Controllable oxygen vacancies, orbital occupancy and magnetic ordering in SrCoO3-delta films 期刊论文 JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2018, 卷号: 454, 页码: 228-236 作者:  Gu, YD;  Song, C;  Zhang, HR;  Wang, ZC;  Cui, B 收藏  |  浏览/下载：32/0  |  提交时间：2018/06/05 Transition-metal Oxides  Phase-transformation  Redox Reactions  Ground-state  Nanoscale  Srcoo2.5  Defects  Physics   Spontaneous antiferromagnetic order and strain effect on electronic properties of alpha-graphyne 期刊论文 CARBON, 2018, 卷号: 131, 页码: 223-228 作者:  Dong, BJ;  Guo, HH;  Liu, ZY;  Yang, T;  Tao, P 收藏  |  浏览/下载：31/0  |  提交时间：2018/06/05 Graphene Nanoribbons  Honeycomb Lattice  Polyacetylene  Transition   The electronic and mechanical properties of tetragonal YB2C as explored by first-principles methods 期刊论文 ELSEVIER SCIENCE SA, 2017, 卷号: 726, 页码: 173-178 作者:  Ma, Huannan;  Mi, Guofa;  Cheng, Xiyue;  Liu, Chen;  Li, Dianzhong 收藏  |  浏览/下载：221/0  |  提交时间：2018/01/10 Layered Rare Earth Borocarbide  Electronic Structure  Ideal Strength  First-principle Calculations   Half-Metallicity in Co-Doped WSe2 Nanoribbons 期刊论文 AMER CHEMICAL SOC, 2017, 卷号: 9, 期号: 44, 页码: 38796-38801 作者:  Xu, Runzhang;  Liu, Bilu;  Zou, Xiaolong;  Cheng, Hui-Ming;  Zou, XL (reprint author), Tsinghua Univ, Tsinghua Berkeley Shenzhen Inst, Low Dimens Mat & Devices Lab, Shenzhen 518055, Guangdong, Peoples R China. 收藏  |  浏览/下载：22/0  |  提交时间：2018/01/10 Half-metal  Transition-metal Dichalcogenides  Doping Spintronics  Density Functional Theory Calculations   Adsorption properties of oxygen atom on the surface of Ti2AlNb by first principles calculations 期刊论文 ELSEVIER SCIENCE BV, 2017, 卷号: 139, 页码: 412-418 作者:  Li, Yue;  Dai, Jianhong;  Song, Yan;  Yang, Rui;  Song, Y (reprint author), Harbin Inst Technol Weihai, Sch Mat Sci & Engn, 2 West Wenhua Rd, Weihai 264209, Peoples R China. 收藏  |  浏览/下载：20/0  |  提交时间：2018/01/10 Density Functional Theory  Ti2alnb  Oxygen Adsorption   Chemical Origin of Termination-Functionalized MXenes: Ti3C2T2 as a Case Study 期刊论文 AMER CHEMICAL SOC, 2017, 卷号: 121, 期号: 35, 页码: 19254-19261 作者:  Hu, Tao;  Li, Zhaojin;  Hu, Minmin;  Wang, Jiemin;  Hu, Qingmiao 收藏  |  浏览/下载：29/0  |  提交时间：2018/01/10 Composition-dependent elastic properties in TiNi-Nb from first principle calculations 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 卷号: 706, 页码: 260-266 Li, Xin; Tu, Xiao-Qing; Liu, Ben-Qiong; Song, Jian-Ming; Luo, Wei; Lei, Yang; Sun, Guang-Ai; Chen, Bo; Hu, Qing-Miao 收藏  |  浏览/下载：41/0  |  提交时间：2017/08/17 Intermetallics  Crystal structure  Elasticity  Phase transitions  Computer simulations   CPA descriptions of random Cu-Au alloys in comparison with SQS approach 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 128, 页码: 302-309 Tian, Li-Yun; Ye, Li-Hua; Hu, Qing-Miao; Lu, Song; Zhao, Jijun; Vitos, Levente 收藏  |  浏览/下载：91/0  |  提交时间：2017/08/17 Local lattice distortion  Formation enthalpy  Elastic constant  Special quasi-random structure (SQS)  Cu-Au alloys