First-principle study of paraelectric and ferroelectric CsH\(_2\)PO\(_4\) including dispersion force...
First-principle study of paraelectric and ferroelectric CsH\(_2\)PO\(_4\) including dispersion forces: stability and related vibrational, dielectric and elastic properties
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Ithaca: Cornell University Library, arXiv.org
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English
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Ithaca: Cornell University Library, arXiv.org
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Using density functional theory (DFT) and density functional perturbation theory (DFPT), we investigate the stability and response functions of CsH\(_2\)PO\(_4\), a ferroelectric material at low temperature. This material cannot be described properly by the usual (semi-)local approximations within DFT. The long-range e\(^-\)-e\(^-\) correlation nee...
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Full title
First-principle study of paraelectric and ferroelectric CsH\(_2\)PO\(_4\) including dispersion forces: stability and related vibrational, dielectric and elastic properties
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TN_cdi_proquest_journals_2071282801
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2071282801
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E-ISSN
2331-8422
DOI
10.48550/arxiv.1801.08756
