Ab initio study of double perovskites Ba{sub 2}DySbO{sub 6}
Journal Article
·
· AIP Conference Proceedings
- Department of Physics, T.M. Bhagalpur University, Bhagalpur, Bihar 812007 (India)
- Department of Applied Physics & Ballistics, F. M. University, Balasore, Odisha, 756019 (India)
- Department of Physical Sciences, IISER Kolkata, Mohanpur Campus, Mohanpur, West Bengal (India)
- Department of Physics, Ranchi University, Jharkhand-834001 (India)
First principle study of the electronic band structure of Ba2DySbO{sub 6} synthesied by the solid state reaction technique have been performed within the framework of density function theory using WIEN2K. It has been shown in the absence of electron-electron interaction (U=0), BaDySO{sub 6} behaves like a half-metal. Even in the presence of DFT+U, electron-electron interaction via the Hubbard term (from U = 0, 2.72e -7.02 eV), it still shows half metals.
- OSTI ID:
- 22608758
- Journal Information:
- AIP Conference Proceedings, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 1731; ISSN APCPCS; ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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