First-Principles Calculations of the Electronic Structure of Imperfect Crystals in the Coherent Potential Approximation

被引：0
作者：
M. A. Korotin
E. Z. Kurmaev
机构：
[1] Mikheev Institute of Metal Physics,
[2] Ural Branch,undefined
[3] Russian Academy of Sciences,undefined
来源：
Physics of Metals and Metallography | 2018年 / 119卷
关键词：
density functional theory; coherent potential approximation; nonstoichiometric metal oxides; oxygen vacancies; band gap;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：1249 / 1253
页数：4
相关论文
共 53 条
[1]  
Nguen Thi-Thuy(2016)Preparation of titanium monoxide nanopowder by low-energy wet ball milling Adv. Power Techn. 27 1868-1873
[2]  
He Ju-Liang(2016)“Magnetic susceptibility of nonstoichiometric compounds of transition Usp. 48 651-673
[3]  
Gusev A. I.(2010)‑metals,” Phys.– Appl. Phys. Lett. 96 032905-810
[4]  
Nazarova S. Z.(2012)Oxygen vacancy levels and electron transport in Al JETP Lett. 94 806-327
[5]  
Liu D.(1989)O Phys. Rev. Lett 62 324-813
[6]  
Clark S. J.(1967)Electronic structure of nonstoichiometric compounds in the coherent potential approximation Phys. Rev. 156 809-20
[7]  
Robertson J.(2017)Correlated lattice fermions in d = ∞ dimensions Physica B: Condens. Matter 526 14-765
[8]  
Korotin M. A.(2014)Coherent-potential model of substitutional disordered alloys J. Exp. Theor. Phys. 119 761-1226
[9]  
Skorikov N. A.(1959)Electronic structure and magnetic properties of two-dimensional nonstoichiometric rutile Phys. Rev. 113 1222-988
[10]  
Zainullina V. M.(1969)Coherent potential approximation simulation of the evolution of the electronic structure of titanium monoxide with the degree of vacancy ordering Phys. Rev 184 979-6287
123456