Electronic structure and chemical bonds in the magnetic semiconductors MnxCd1 − x GeAs2 and MnxZn1 − x GeAs2

The electronic structure of the magnetic semiconductors Mn x Cd 1 − x GeAs 2 and Mn x Zn 1 − x GeAs 2 , where x = 0, 0.0625, and 0.125, is calculated by the method of electron density functional in the plane-wave basis. Features of participation of Mn3 d -electrons in the chemical bond are revealed....

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Veröffentlicht in:	Inorganic materials 2008-11, Vol.44 (11), p.1169-1175
Hauptverfasser:	Yarzhemsky, V. G., Murashov, S. V., Nefedov, V. I., Muraviev, E. N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical bonds Chemistry Chemistry and Materials Science Dopants Electron density Electronic structure Industrial Chemistry/Chemical Engineering Inorganic Chemistry Inorganic materials Magnetic semiconductors Manganese Materials Science Mathematical analysis
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Beschreibung
Zusammenfassung:	The electronic structure of the magnetic semiconductors Mn x Cd 1 − x GeAs 2 and Mn x Zn 1 − x GeAs 2 , where x = 0, 0.0625, and 0.125, is calculated by the method of electron density functional in the plane-wave basis. Features of participation of Mn3 d -electrons in the chemical bond are revealed. It is found that their role in the chemical bond with group-V element depends on the group-II element and the concentration of the magnetic dopant.
ISSN:	0020-1685 1608-3172
DOI:	10.1134/S0020168508110034