Document Detail


Effect of chemical pressure, misfit strain and hydrostatic pressure on structural and magnetic behaviors of rare-earth orthochromates.
MedLine Citation:
PMID:  23995139     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
First-principles calculations are performed to investigate structural and magnetic behaviors of rare-earth orthochromates as a function of 'chemical' pressure (that is, the rare-earth ionic radius), epitaxial misfit strain and hydrostatic pressure. From a structural point of view, (i) 'chemical' pressure significantly modifies antipolar displacements, Cr-O-Cr bond angles and the resulting oxygen octahedral tiltings; (ii) hydrostatic pressure mostly changes Cr-O bond lengths; and (iii) misfit strain affects all these quantities. The correlations between magnetic properties (Néel temperature and weak ferromagnetic moments) and unit cell volume are similar when varying the misfit strain or hydrostatic pressure, but differ from those associated with the 'chemical' pressure. Origins of such effects are also discussed.
Authors:
Hong Jian Zhao; Wei Ren; Xiang Ming Chen; L Bellaiche
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2013-8-30
Journal Detail:
Title:  Journal of physics. Condensed matter : an Institute of Physics journal     Volume:  25     ISSN:  1361-648X     ISO Abbreviation:  J Phys Condens Matter     Publication Date:  2013 Aug 
Date Detail:
Created Date:  2013-9-2     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  -    
Other Details:
Languages:  ENG     Pagination:  385604     Citation Subset:  -    
Affiliation:
Laboratory of Dielectric Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, People's Republic of China. Institute for Nanoscience and Engineering and Physics Department, University of Arkansas, Fayetteville, AR 72701, USA.
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