Metal-Mott Insulator Transition of SrMnO3 by Fluorine Doping

被引：1

作者：

Ramwala, Mohini ^{[1
]}

Singh, Deobrat ^{[1
]}

Gupta, Sanjeev K. ^{[2
]}

Sonvane, Yogesh ^{[1
]}

机构：

[1] SV Natl Inst Technol, Dept Appl Phys, Adv Mat Lab, Surat 395007, India

[2] St Xaviers Coll, Dept Phys, Computat Mat & Nanosci Grp, Ahmadabad 380009, Gujarat, India

来源：

61ST DAE-SOLID STATE PHYSICS SYMPOSIUM | 2017年 / 1832卷

关键词：

Peroskite materials; electronic properties; Density functional theory;

D O I：

10.1063/1.4980584

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We have studied the electronic band structure based metallic properties of a pure cubic SrMnO3 and fluorine doped cubic SrMnO3 peroskite crystal structure which has mott-insulating properties. We also found the stable cubic structure using Generalised Gradient Approximation (GGA) in Perder-Burke-Ernzerhof (PBE) through First-principles calculation. The bond structure of pure SrMnO3 signifies its metallic behavior and that of fluorine doped SrMnO3 show mottness. These materials are of great importance in microelectronics and telecommunication.

引用

页数：2

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