Structural, electronic and magnetic properties of chalcopyrite magnetic semiconductors: A first-principles study

Silvia Picozzi, Alessandra Continenza, Yu Jun Zhao, Wen Tong Geng, Arthur J Freeman

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The structural, electronic and magnetic properties of chalcopyrite magnetic semiconductors were discussed. First principles density-functional theory was used was used for investigations. The antiferromagnetic alignment was found to be most stable ordering for all the systems studied. It was found that for Zn- and Cd-rich systems, the total magnetic moments per Mn atom of the ferromagnetic phase is very close to the ideal value.

Original languageEnglish
Pages (from-to)2023-2026
Number of pages4
JournalJournal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
Volume20
Issue number6
DOIs
Publication statusPublished - Nov 2002

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Magnetic semiconductors
Magnetic moments
Electronic properties
Density functional theory
Structural properties
Magnetic properties
magnetic properties
Atoms
electronics
magnetic moments
alignment
density functional theory
atoms
chalcopyrite

ASJC Scopus subject areas

  • Surfaces, Coatings and Films
  • Physics and Astronomy (miscellaneous)
  • Surfaces and Interfaces

Cite this

Structural, electronic and magnetic properties of chalcopyrite magnetic semiconductors : A first-principles study. / Picozzi, Silvia; Continenza, Alessandra; Zhao, Yu Jun; Geng, Wen Tong; Freeman, Arthur J.

In: Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, Vol. 20, No. 6, 11.2002, p. 2023-2026.

Research output: Contribution to journalArticle

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