Ab initio studies on the structural and magnetic properties of FeCu superlattices

Jian Tao Wang; Lei Zhou; Yoshiyuki Kawazoe; Ding Sheng Wang

doi:10.1103/PhysRevB.60.3025

Ab initio studies on the structural and magnetic properties of FeCu superlattices

Jian Tao Wang, Lei Zhou, Yoshiyuki Kawazoe, Ding Sheng Wang

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Article › peer-review

22 Citations (Scopus)

Abstract

FeCu superlattices with bcc and fcc structures are studied by means of the self-consistent full-potential linearized augmented-plane-wave method under the generalized gradient approximation with full lattice relaxation. By total-energy minimization, the lattice constants in their ground states are determined. The concentration dependences of the volume and moment are discussed, and fairly good agreements are obtained between the theory and the experiment.

Original language	English
Pages (from-to)	3025-3028
Number of pages	4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	60
Issue number	5
DOIs	https://doi.org/10.1103/PhysRevB.60.3025
Publication status	Published - 1999

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.60.3025

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title = "Ab initio studies on the structural and magnetic properties of FeCu superlattices",

abstract = "FeCu superlattices with bcc and fcc structures are studied by means of the self-consistent full-potential linearized augmented-plane-wave method under the generalized gradient approximation with full lattice relaxation. By total-energy minimization, the lattice constants in their ground states are determined. The concentration dependences of the volume and moment are discussed, and fairly good agreements are obtained between the theory and the experiment.",

author = "Wang, {Jian Tao} and Lei Zhou and Yoshiyuki Kawazoe and Wang, {Ding Sheng}",

year = "1999",

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AU - Zhou, Lei

AU - Kawazoe, Yoshiyuki

AU - Wang, Ding Sheng

PY - 1999

Y1 - 1999

N2 - FeCu superlattices with bcc and fcc structures are studied by means of the self-consistent full-potential linearized augmented-plane-wave method under the generalized gradient approximation with full lattice relaxation. By total-energy minimization, the lattice constants in their ground states are determined. The concentration dependences of the volume and moment are discussed, and fairly good agreements are obtained between the theory and the experiment.

AB - FeCu superlattices with bcc and fcc structures are studied by means of the self-consistent full-potential linearized augmented-plane-wave method under the generalized gradient approximation with full lattice relaxation. By total-energy minimization, the lattice constants in their ground states are determined. The concentration dependences of the volume and moment are discussed, and fairly good agreements are obtained between the theory and the experiment.

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Ab initio studies on the structural and magnetic properties of FeCu superlattices

Abstract

ASJC Scopus subject areas

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