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Electronic structure and magnetization of Zn1-xCoxO ternary alloys with zinc-blende, rocksalt and wurtzite phases.
- Source :
- Optical & Quantum Electronics; Aug2021, Vol. 53 Issue 8, p1-14, 14p
- Publication Year :
- 2021
-
Abstract
- First-principles all electrons density-functional calculations for the band structure and magnetization of Zn<subscript>1−x</subscript>Co<subscript>x</subscript>O ternary magnetic alloys, in three phases namely zinc-blende, rocksalt and wurtzite have been reported. The computations are spin-polarized. An inspection of our electronic properties showed that the alloy system of interest exhibits a semiconducting character where the nature of the gap depends on the considered phase. An analysis of electronic charge density suggests that the bonding has a partially covalent character for ZnO which becomes weaker as far as the Co concentration increases. CoO is found to reach a total magnetization of 3 μ<subscript>B</subscript> per cell for zinc-blende and rocksalt phases and 6 μ<subscript>B</subscript> per cell for wurtzite phase. [ABSTRACT FROM AUTHOR]
- Subjects :
- SPHALERITE
TERNARY alloys
MAGNETIC alloys
ELECTRONIC structure
WURTZITE
MAGNETIZATION
Subjects
Details
- Language :
- English
- ISSN :
- 03068919
- Volume :
- 53
- Issue :
- 8
- Database :
- Complementary Index
- Journal :
- Optical & Quantum Electronics
- Publication Type :
- Academic Journal
- Accession number :
- 152275203
- Full Text :
- https://doi.org/10.1007/s11082-021-02985-x