Structural, elastic and thermo-electronic properties of paramagnetic perovskite PbTaO3
Author:
Affiliation:
1. Condensed Matter Theory Group
2. School of Studies in Physics
3. Jiwaji University
4. Gwalior – 474 011
5. India
Abstract
Self-consistent ab initio calculations with highly precise spin-polarised, density functional theory (DFT) have been performed for the first time, to study the structural stability, mechanical and magneto-electronic properties of cubic perovskite PbTaO3.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA10468A
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