The Mechanism for the Half-Metal to Insulator Transition at the Fe3O4/ZnAl2O4 Interface

被引：0

作者：

Jin, Zhejunyu ^{[1
]}

Li, Zongxiao ^{[1
]}

Pu, Xiaohua ^{[1
]}

Zhao, Weiwei ^{[1
]}

Ding, Kaining ^{[2
]}

机构：

[1] Baoji Univ Arts & Sci, Coll Chem & Chem Engn, Baoji 721013, Shaanxi, Peoples R China

[2] Fuzhou Univ, Dept Chem, Res Inst Photocatalysis, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350116, Fujian, Peoples R China

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2019年 / 256卷 / 03期

关键词：

electronic structure; interface; ordering parameters; phonon dispersion; Verwey transition; MAGNETITE FE3O4;

D O I：

10.1002/pssb.201800491

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The mechanism of Verwey transition remains unsolved. In this work, the gap opening at the Fe3O4/ZnAl2O4 interface is discussed based on first-principles calculations. Here, with constraint of the charge transfer, superlattices with different orbital ordering show different gaps corresponding to the different electron-acoustic phonon couplings. When electrons (near the Fermi level) are at the out-of-plane orbitals, the interface exhibits a wider band gap with stronger electron-acoustic phonon coupling compared to the superlattice with electrons at in-plane orbitals. This finding unravels the link between the electron-acoustic phonon coupling and orbital ordering, which is significant to explain the mechanism for the Verwey transition.

引用

页数：6

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