A GGA + U investigation into the effects of cations on the electromagnetic properties of transition metal spinels-Reference-Cited by-同舟云学术

A GGA + U investigation into the effects of cations on the electromagnetic properties of transition metal spinels

Author:

Li Chunyu¹²³⁴,Li Peng¹²³⁴,Li Leyun¹²³⁴,Wang Dingjia¹²³⁴,Gao Xingfa⁵⁶⁷⁸⁹^ORCID,Gao Xuejiao J.¹²³⁴^ORCID

Affiliation:

1. College of Chemistry and Chemical Engineering

2. Jiangxi Normal University

3. Nanchang

4. China

5. Laboratory of Theoretical and Computational Nanoscience

6. CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety

7. National Center for Nanoscience and Technology

8. Chinese Academy of Sciences

9. Beijing

Abstract

Jahn–Teller active ions Fe²⁺, Ni²⁺, Mn³⁺, Ni³⁺, Cr⁴⁺ and Fe⁴⁺ can effectually regulate the electronic structures of transition metal spinels.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

Reference68 articles.

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