Published October 15, 2014
| Version v1
Journal article
Electronic structures and magnetism of transition metal doped BiAlO3: An ab initio study
Creators
- 1. School of Mathematics and Physical Sciences Technology, Xuzhou Institute of Technology, Xuzhou 221000 (China)
- 2. Department of Physics, Yancheng Institute of Technology, Yancheng 224000 (China)
Description
We theoretically investigated the electronic structures and magnetic properties of transition-metal (Cr, Mn and Fe) doped BiAlO3 based on the first-principle calculations. We found that the manganese ions can make the ferroelectric material ferromagnetic while the insulating feature is preserved. The ferromagnetic coupling is further confirmed by applying a DFT+U method and explained in terms of the super-exchange mechanism between two Mn ions. Other transition metals (Cr and Fe) cannot induce ferromagnetism
Availability note (English)
Available from http://dx.doi.org/10.1016/j.physb.2014.06.033Additional details
Identifiers
- DOI
- 10.1016/j.physb.2014.06.033;
- PII
- S0921-4526(14)00523-7;
Publishing Information
- Journal Title
- Physica. B, Condensed Matter
- Journal Volume
- 451
- Journal Page Range
- p. 76-79
- ISSN
- 0921-4526
- CODEN
- PHYBE3
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 46118132
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ALUMINATES; BISMUTH; BISMUTH COMPOUNDS; DOPED MATERIALS; ELECTRONIC STRUCTURE; FERROELECTRIC MATERIALS; FERROMAGNETISM; MAGNETIC PROPERTIES; MANGANESE IONS; TRANSITION ELEMENTS
- Descriptors DEC
- ALUMINIUM COMPOUNDS; CHARGED PARTICLES; DIELECTRIC MATERIALS; ELEMENTS; IONS; MAGNETISM; MATERIALS; METALS; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES
Optional Information
- Copyright
- Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.