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Electronic structure and magnetic properties of diluted magnetic semiconductor and co-doped BaCd2As2 from first-principles calculations.
- Source :
-
Modern Physics Letters B . 6/10/2014, Vol. 28 Issue 14, p1450111-1-1450111-7. 7p. - Publication Year :
- 2014
-
Abstract
- In this paper, we have investigated the electronic structure and magnetic properties of K and Mn co-doped BaCd2As2 using density functional theory within the generalized gradient approximation (GGA) + U schemes. Calculations show that the ground state magnetic structure of Mn-doped BaCd2As2 is antiferromagnetic while K and Mn co-doped BaCd2As2 is ferromagnetic. Electronic structures indicate that the superexchange mechanism leads to the antiferromagnetic coupling between Mn atoms in Mn-doped BaCd2As2 while the hole-mediated Zener's p–d exchange mechanism leads to the ferromagnetic coupling between Mn atoms in K and Mn co-doped BaCd2As2. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 02179849
- Volume :
- 28
- Issue :
- 14
- Database :
- Academic Search Index
- Journal :
- Modern Physics Letters B
- Publication Type :
- Academic Journal
- Accession number :
- 96408083
- Full Text :
- https://doi.org/10.1142/S0217984914501115