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)


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
Issue number6
Publication statusPublished - Nov 1 2002


ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

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