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Electronic structure and thermodynamic properties of RNi_{5}Sn (R = La, Ce, Pr, Nd) compounds
Journal
Acta Physica Polonica. A
Author
Jezierski A.
Kaczkowski J.
Szytuła Andrzej
Volume
127
Number
2
Title of volume
Proceedings of the European Conference Physics of Magnetism 2014 (PM'14) Poznań, Poland, June 23-27, 2014
Pages
257-259
ISSN
0587-4246
eISSN
1898-794X
Language
English
Journal language
English
Abstract in English
The electronic structure, pressure and temperature dependence of thermodynamic properties of RNi5Sn (R = La, Ce, Pr, Nd) compounds are calculated by ab initio full potential local orbital minimum-base(ver. 9 and ver. 14) method. These compounds crystallize in the hexagonal crystal structure (space group P6c/mmc, No. 194). The band calculations were performed in the scalar-relativistic mode for the exchange correlation potentials in the form: of the Perdew-Burke-Ernzerhof general gradient approximation. In this work we present the band structures of LaNi5Sn, CeNi5Sn, NdNi5Sn and PrNi5Sn compounds. The thermodynamic properties (bulk modulus, Debye temperature) are calculated in the Debye-Grüneisen model using the equation of states in the form of Birch-Murnaghan, Poirier-Tarantola and Vinet. Our results have shown that values of thermodynamic properties depend on the method of calculations.
Affiliation
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego
Scopus© citations
1
| dc.abstract.en | The electronic structure, pressure and temperature dependence of thermodynamic properties of RNi5Sn (R = La, Ce, Pr, Nd) compounds are calculated by ab initio full potential local orbital minimum-base(ver. 9 and ver. 14) method. These compounds crystallize in the hexagonal crystal structure (space group P6c/mmc, No. 194). The band calculations were performed in the scalar-relativistic mode for the exchange correlation potentials in the form: of the Perdew-Burke-Ernzerhof general gradient approximation. In this work we present the band structures of LaNi5Sn, CeNi5Sn, NdNi5Sn and PrNi5Sn compounds. The thermodynamic properties (bulk modulus, Debye temperature) are calculated in the Debye-Grüneisen model using the equation of states in the form of Birch-Murnaghan, Poirier-Tarantola and Vinet. Our results have shown that values of thermodynamic properties depend on the method of calculations. | pl |
| dc.affiliation | Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego | pl |
| dc.contributor.author | Jezierski, A. | pl |
| dc.contributor.author | Kaczkowski, J. | pl |
| dc.contributor.author | Szytuła, Andrzej - 100232 | pl |
| dc.date.accessioned | 2016-03-17T14:04:05Z | |
| dc.date.available | 2016-03-17T14:04:05Z | |
| dc.date.issued | 2015 | pl |
| dc.date.openaccess | 0 | |
| dc.description.accesstime | w momencie opublikowania | |
| dc.description.number | 2 | pl |
| dc.description.physical | 257-259 | pl |
| dc.description.version | ostateczna wersja wydawcy | |
| dc.description.volume | 127 | pl |
| dc.identifier.doi | 10.12693/APhysPolA.127.257 | pl |
| dc.identifier.eissn | 1898-794X | pl |
| dc.identifier.issn | 0587-4246 | pl |
| dc.identifier.project | ROD UJ / P | pl |
| dc.identifier.uri | http://ruj.uj.edu.pl/xmlui/handle/item/22564 | |
| dc.language | eng | pl |
| dc.language.container | eng | pl |
| dc.rights | Udzielam licencji. Uznanie autorstwa - Użycie niekomercyjne - Bez utworów zależnych 4.0 Międzynarodowa | * |
| dc.rights.licence | Inna otwarta licencja | |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/legalcode | * |
| dc.share.type | otwarte czasopismo | |
| dc.subtype | Article | pl |
| dc.title | Electronic structure and thermodynamic properties of RNi_{5}Sn (R = La, Ce, Pr, Nd) compounds | pl |
| dc.title.journal | Acta Physica Polonica. A | pl |
| dc.title.volume | Proceedings of the European Conference Physics of Magnetism 2014 (PM'14) Poznań, Poland, June 23-27, 2014 | pl |
| dc.type | JournalArticle | pl |
| dspace.entity.type | Publication |
dc.abstract.enpl
The electronic structure, pressure and temperature dependence of thermodynamic properties of RNi5Sn (R = La, Ce, Pr, Nd) compounds are calculated by ab initio full potential local orbital minimum-base(ver. 9 and ver. 14) method. These compounds crystallize in the hexagonal crystal structure (space group P6c/mmc, No. 194). The band calculations were performed in the scalar-relativistic mode for the exchange correlation potentials in the form: of the Perdew-Burke-Ernzerhof general gradient approximation. In this work we present the band structures of LaNi5Sn, CeNi5Sn, NdNi5Sn and PrNi5Sn compounds. The thermodynamic properties (bulk modulus, Debye temperature) are calculated in the Debye-Grüneisen model using the equation of states in the form of Birch-Murnaghan, Poirier-Tarantola and Vinet. Our results have shown that values of thermodynamic properties depend on the method of calculations. dc.affiliationpl
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego dc.contributor.authorpl
Jezierski, A. dc.contributor.authorpl
Kaczkowski, J. dc.contributor.authorpl
Szytuła, Andrzej - 100232 dc.date.accessioned
2016-03-17T14:04:05Z dc.date.available
2016-03-17T14:04:05Z dc.date.issuedpl
2015 dc.date.openaccess
0 dc.description.accesstime
w momencie opublikowania dc.description.numberpl
2 dc.description.physicalpl
257-259 dc.description.version
ostateczna wersja wydawcy dc.description.volumepl
127 dc.identifier.doipl
10.12693/APhysPolA.127.257 dc.identifier.eissnpl
1898-794X dc.identifier.issnpl
0587-4246 dc.identifier.projectpl
ROD UJ / P dc.identifier.uri
http://ruj.uj.edu.pl/xmlui/handle/item/22564 dc.languagepl
eng dc.language.containerpl
eng dc.rights*
Udzielam licencji. Uznanie autorstwa - Użycie niekomercyjne - Bez utworów zależnych 4.0 Międzynarodowa dc.rights.licence
Inna otwarta licencja dc.rights.uri*
http://creativecommons.org/licenses/by-nc-nd/4.0/legalcode dc.share.type
otwarte czasopismo dc.subtypepl
Article dc.titlepl
Electronic structure and thermodynamic properties of RNi_{5}Sn (R = La, Ce, Pr, Nd) compounds dc.title.journalpl
Acta Physica Polonica. A dc.title.volumepl
Proceedings of the European Conference Physics of Magnetism 2014 (PM'14) Poznań, Poland, June 23-27, 2014 dc.typepl
JournalArticle dspace.entity.type
Publication Affiliations
Wydział Fizyki, Astronomii i Informatyki Stosowanej
Szytuła, Andrzej
No affiliation
Jezierski, A.
Kaczkowski, J.
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