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 |
|