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author:

Liu San-Bing (Liu San-Bing.) [1] | Li Jun-Qian (Li Jun-Qian.) [2]

Indexed by:

SCIE CSCD

Abstract:

Density functional theory (DFT) calculations are performed to investigate the electronic structure and ferromagnetism of (In, Cr)(2)O-3. The densities of states suggest that the Cr dopants provide nearly 100% polarization of the conduction carriers and the ferromagnetic ground state in Cr-doped In2O3 can be explained from p-d hybridization mechanism. The calculation results also show that the ferromagnetism is strengthened in the presence of oxygen vacancy.

Keyword:

antiferromagnetic (AFM) density functional theory (DFT) diluted magnetic semiconductors ferromagnetic (FM) half-metallic

Community:

  • [ 1 ] [Liu San-Bing]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China
  • [ 2 ] [Li Jun-Qian]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • 李俊钱

    [Li Jun-Qian]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China

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Source :

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

ISSN: 0254-5861

CN: 35-1112/TQ

Year: 2009

Issue: 3

Volume: 28

Page: 360-364

0 . 5 4 4

JCR@2009

5 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 4

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