• Complex
  • Title
  • Keyword
  • Abstract
  • Scholars
  • Journal
  • ISSN
  • Conference
成果搜索

author:

Li, JQ (Li, JQ.) [1] | Xiang, SC (Xiang, SC.) [2] | Zhang, YF (Zhang, YF.) [3] (Scholars:章永凡)

Indexed by:

Scopus SCIE PKU CSCD

Abstract:

The electronic structures of CaNiN as well as its metallic conductivity and magnetism have been studied by using DFT method. The calculated results indicate that, due to the weak interaction between the NiN2- chains, the band structures of NiN with different dimensions are similar, which also determine the conductivity and magnetism of the compound. Compared with [MX] chains (RI = Pt, Pd; X = halogen atom), it shows that the undistortion of the NiN2- chain is mainly originated from the competition between the decrease of the orbital energy and the increase of the paired energy. For the [MX] chains, the latter effect is dominant and hence, the distortion of their chains is observed. It seems that the smaller distortion the compound has, the more favorable its magnetism will be.

Keyword:

CaNiN distortion electronic structures magnetism

Community:

  • [ 1 ] Fuzhou Univ, Dept Chem, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • 李俊钱

    [Li, JQ]Fuzhou Univ, Dept Chem, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China

Email:

Show more details

Related Keywords:

Source :

ACTA CHIMICA SINICA

ISSN: 0567-7351

CN: 31-1320/O6

Year: 2001

Issue: 6

Volume: 59

Page: 883-889

0 . 5 3

JCR@2001

1 . 7 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:3

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

Online/Total:273/10060636
Address:FZU Library(No.2 Xuyuan Road, Fuzhou, Fujian, PRC Post Code:350116) Contact Us:0591-22865326
Copyright:FZU Library Technical Support:Beijing Aegean Software Co., Ltd. 闽ICP备05005463号-1