Ferromagnetic ordering in cobalt doped methylammonium lead bromide: An ab-initio study

被引：10

作者：

Luitel, Homnath ^{[1
,2
,3
]}

Moshat, Sudipta ^{[1
,2
]}

Sanyal, Dirtha ^{[1
,2
]}

机构：

[1] Variable Energy Cyclotron Ctr, 1-AF Bidhannagar, Kolkata 700064, India

[2] Homi Bhabha Natl Inst, Training Sch Complex, Mumbai 400094, Maharashtra, India

[3] Sikkim Govt Coll NBBDC, Dept Phys, Gangtok 737102, Sikkim, India

来源：

COMPUTATIONAL CONDENSED MATTER | 2020年 / 22卷

关键词：

Magnetic semiconductors; Defects; Density functional theory; ROOM-TEMPERATURE FERROMAGNETISM; TOTAL-ENERGY CALCULATIONS; MAGNETIC-PROPERTIES; MOLECULAR-DYNAMICS; TRANSITION; SEMICONDUCTORS; SPINTRONICS;

D O I：

10.1016/j.cocom.2019.e00444

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Ferromagnetic ordering has been theoretically observed in Co-doped methylammonium lead bromide (MAPbBr(3)) using first principles approach for the first time. The methylammonium lead bromide system with Co-doping at Pb-site along with Pb-vacancy becomes a p-type semiconductor with significantly large magnetic moment. The spin polarized total and partial density of states (DOS) have been analysed to find out the source of the induced magnetic moment. Spin-spin interaction investigation reveals that the magnetism in Co-doped MAPbBr(3) system favours ferromagnetic spin-ordering. This direct band gap Co-doped MAPbBr(3) could be a suitable material for spintronics application. (c) 2019 Elsevier B.V. All rights reserved.

引用

页数：6

共 49 条

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