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Author:

Li, Dan (Li, Dan.) | Gu, Yousong (Gu, Yousong.) | Nie, Zuoren (Nie, Zuoren.) (Scholars:聂祚仁) | Wang, Bo (Wang, Bo.) (Scholars:王波) | Yan, Hui (Yan, Hui.)

Indexed by:

SCIE

Abstract:

Pseudo-potential and plane wave basis-set under the framework of density functional theory have been employed to study the electronic and magnetic properties of Fe16N2, and to have an insight look on the subject of giant magnetic moments reported in Fe16N2. After geometrical optimization, band structures and densities of states have been evaluated together with the atom resolved band populations and magnetic moments. In this paper, we report a theoretical effort to look into the various aspects of the magnetic properties of Fe16N2, including volume effect and distortion effect.

Keyword:

Fe16N2 ab initio calculations magnetic properties

Author Community:

  • [ 1 ] Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100022, Peoples R China
  • [ 2 ] Univ Sci & Technol Beijing, Dept Mat Phys Chem, Beijing 100083, Peoples R China

Reprint Author's Address:

  • [Li, Dan]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100022, Peoples R China

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Source :

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

ISSN: 1005-0302

Year: 2006

Issue: 6

Volume: 22

Page: 833-838

1 0 . 9 0 0

JCR@2022

ESI Discipline: MATERIALS SCIENCE;

JCR Journal Grade:3

Cited Count:

WoS CC Cited Count: 9

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 5

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