| High pressure phase transition and elastic properties of covalent heavy rare-earth Antimonides. | |
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MedLine Citation:
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PMID: 21360178 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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In the present paper, we report an investigation into the high-pressure structural phase transition of rare earth antimonides (DySb and ErSb). A modified interaction potential model (MIPM) (including the covalency effect) has been developed. Phase transition pressures are associated with a sudden collapse in volume, indicating the occurrence of a first order phase transition. At compressed volumes, these compounds are found in the CsCl phase. The phase transition pressures and associated volume collapses obtained from the potential model developed here show a generally better agreement with available experimental data than others available in the literature. The elastic constants and bulk modulus are also reported. Our results are, in general, in good agreement with experimental and theoretical data where available, and provide predictions where data are unavailable. |
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Authors:
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Purvee Bhardwaj; Sadhna Singh |
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Publication Detail:
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Type: JOURNAL ARTICLE Date: 2011-3-1 |
Journal Detail:
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Title: Journal of molecular modeling Volume: - ISSN: 0948-5023 ISO Abbreviation: - Publication Date: 2011 Mar |
Date Detail:
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Created Date: 2011-3-1 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9806569 Medline TA: J Mol Model Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
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High Pressure Physics Laboratory, Department of Physics, Barkatullah University, Bhopal, 462026, India, purveebhardwaj@gmail.com. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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