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dc.contributor.author | Petrova A. | |
dc.contributor.author | Minisini B. | |
dc.contributor.author | Nedopekin O. | |
dc.contributor.author | Tayurskii D. | |
dc.date.accessioned | 2018-09-18T20:24:42Z | |
dc.date.available | 2018-09-18T20:24:42Z | |
dc.date.issued | 2012 | |
dc.identifier.issn | 1742-6588 | |
dc.identifier.uri | https://dspace.kpfu.ru/xmlui/handle/net/139609 | |
dc.description.abstract | This work is devoted to the ab-initio studies of rare-earth double fluoride GdLiF4 under external hydrostatic pressure. Structural and mechanical properties were considered by means of Vienna Ab-initio Simulation Program (VASP). A good agreement of lattice parameters and bulk modulus with experimental data has been obtained. The seven independent elastic constants of I41/a GdLiF4 structure were calculated from stress-strain method. The provideab-initio studies has revealed the instability of GdLiF 4 crystal structure above 10 GPa in accordance with available experimental findings. | |
dc.relation.ispartofseries | Journal of Physics: Conference Series | |
dc.title | Ab-initio investigation of GdLiF4 structure under pressure | |
dc.type | Conference Paper | |
dc.relation.ispartofseries-issue | 1 | |
dc.relation.ispartofseries-volume | 394 | |
dc.collection | Публикации сотрудников КФУ | |
dc.source.id | SCOPUS17426588-2012-394-1-SID84873639208 |