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Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide 期刊论文
NATURE COMMUNICATIONS, 2018, 卷号: 9, 页码: -
作者:  He, JG;  Di Sante, D;  Li, RH;  Chen, XQ;  Rondinelli, JM;  Franchini, C;  Rondinelli, JM (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.;  Franchini, C (reprint author), Univ Vienna, Fac Phys, A-1080 Vienna, Austria.;  Franchini, C (reprint author), Univ Vienna, Ctr Computat Mat Sci, A-1080 Vienna, Austria.;  Chen, XQ (reprint author), Univ Sci & Technol China, Chinese Acad Sci, Inst Met Res, Sch Mat Sci & Engn,Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
收藏  |  浏览/下载：138/0  |  提交时间：2018/06/05
Augmented-wave Method  Wannier Functions  States  Bulk  Semiconductors  Perovskites  Temperature  Ag2bio3  Plane  Bands  
First-principles study of the properties of Ni/Ni3Al interface doped with B or P 期刊论文
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2006, 卷号: 416, 期号: 1-2, 页码: 169-175
作者:  Peng, P;  Zhou, DW;  Liu, JS;  Yang, R;  Hu, ZQ
收藏  |  浏览/下载：111/0  |  提交时间：2021/02/02
Ni/Ni3Al interface  electronic structure  bond overlap population  work of separation  plane-wave pseudopotential method  
First-principles calculations of the elastic properties of ZrC and ZrN 期刊论文
Journal of Alloys and Compounds, 2004, 卷号: 377, 期号: 1-2, 页码: 221-224
作者:  D. Y. Cheng;  S. Q. Wang;  H. Q. Ye
收藏  |  浏览/下载：101/0  |  提交时间：2012/04/14
Amorphous Materials  Elasticity  Zrc  Zrn  Supercooled Liquid Region  Plane-wave Method  Ni Amorphous-alloys  Electronic-structure  Cu Alloys  Glass  Particles  Films  
Ab initio calculations of the electronic structure of the silver palladium oxide Ag2PdO2 期刊论文
Physica B-Condensed Matter, 2003, 卷号: 337, 期号: 1-4, 页码: 102-110
作者:  L. H. Yu;  K. L. Yao;  Z. L. Liu
收藏  |  浏览/下载：76/0  |  提交时间：2012/04/14
Silver Palladium Oxide  Ab Initio Calculation  Mixed Lapw/apw Plus Lo  Method  Band Structure  Band Gap  Generalized Gradient Approximation  Plane-wave Method  Crystal-structure  Band-structure  Phase-diagram  System  Copper  Energy  Solids  
First-principles study of the elastic properties and electronic structure of NiTi, CoTi and FeTi 期刊论文
Philosophical Magazine a-Physics of Condensed Matter Structure Defects and Mechanical Properties, 2001, 卷号: 81, 期号: 6, 页码: 1625-1632
作者:  D. Y. Cheng;  S. J. Zhao;  S. Q. Wang;  H. Q. Ye
收藏  |  浏览/下载：78/0  |  提交时间：2012/04/14
Plane-wave Method  Martensitic-transformation  Neutron-scattering  X-ray  Alloy  Al  Energy  Approximation  
Calculations showing a correlation between electronic density and bulk modulus in fcc and bcc metals 期刊论文
Physical Review B, 2001, 卷号: 64, 期号: 2
作者:  D. Y. Cheng;  S. Q. Wang;  H. Q. Ye
收藏  |  浏览/下载：83/0  |  提交时间：2012/04/14
Plane-wave Method  Brillouin-zone  Special Points  Liquid Alloys  Heat