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Magnetism from 2p states in K-doped ZnO monolayer: A density functional study.
- Source :
- Europhysics Letters; May2016, Vol. 114 Issue 4, p1-1, 1p
- Publication Year :
- 2016
-
Abstract
- Using density-functional–based methods, we have studied 2p-based magnetic moments and magnetic coupling in potassium (K)-doped ZnO monolayer. We find that the substitution of a K atom at a Zn site in a ZnO monolayer induces a magnetic moment of per cell mainly originating from the O-2p states and has much lower formation energy than a magnetic Zn vacancy. A half-metallic electronic property and long-range ferromagnetic coupling between the magnetic moments are obtained based on the generalized gradient approximation (GGA) calculations, which is explained by a double-exchange–like mechanism. Moreover, with stronger correlation correction on 2p states, the structure of the substitutional K impurity undergoes a Jahn-Teller–like distortion. Incorporating magnetism into a two-dimensional ZnO monolayer will promote its application in nanodevices. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 02955075
- Volume :
- 114
- Issue :
- 4
- Database :
- Complementary Index
- Journal :
- Europhysics Letters
- Publication Type :
- Academic Journal
- Accession number :
- 116342320
- Full Text :
- https://doi.org/10.1209/0295-5075/114/47012