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Electronic structure and thermodynamic properties of RNi_{5}Sn (R = La, Ce, Pr, Nd) compounds
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Electronic structure and thermodynamic properties of RNi_{5}Sn (R = La, Ce, Pr, Nd) compounds
Bibliographic description
| title: | Electronic structure and thermodynamic properties of RNi_{5}Sn (R = La, Ce, Pr, Nd) compounds |
| author: | Jezierski A., Kaczkowski J., Szytuła Andrzej 
|
| journal title: | Acta Physica Polonica. A |
| title of volume: | Proceedings of the European Conference Physics of Magnetism 2014 (PM'14) Poznań, Poland, June 23-27, 2014 |
| volume: | 127 |
| issue: | 2 |
| date of publication : | 2015 |
| pages: | 257-259 |
| ISSN: |
0587-4246 |
| eISSN: |
1898-794X |
| DOI: | |
| 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 |
| type: | journal article |
| subtype: | academic paper |
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Except where otherwise noted, this item's license is described as Udzielam licencji. Uznanie autorstwa - Użycie niekomercyjne - Bez utworów zależnych 4.0 Międzynarodowa
Projekt „Repozytorium otwartego dostępu do dorobku naukowego i dydaktycznego UJ” współfinansowany w ramach poddziałania 2.3.1 „Cyfrowe udostępnianie zasobów nauki” Programu Operacyjnego Polska Cyfrowa z Europejskiego Funduszu Rozwoju Regionalnego i budżetu państwa na podstawie umowy o dofinansowanie nr POPC.02.03.01-00-0030/17-00
