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Electronic Structure and Thermodynamic Properties of RNi₅Sn (R = La, Ce, Pr, Nd) Compounds

100%

Jezierski A., Kaczkowski J., Szytuła A.

Acta Physica Polonica A

2015

vol. 127

issue 2

257-259

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 P6_{c}/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.

Pressure Influence on the Curie Temperature

88%

Rutkowski J., Wojtczak L., Zajac Š.

issue 5

745-746

The pressure dependence of the ferromagnetic-paramagnetic phase transition temperature T_{C} (p) is of high interest due to its direct technological implications. The theoretical investigations of the Curie temperature T_{C} (p) considered in the ferromagnetic crystals have been studied employing various methods of calculations. The present paper is devoted to its description by means of the pseudoharmonic approximation approach.

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2 Acta Physica Polonica A

1 2015

1 2010

1 Jezierski A.

1 Kaczkowski J.

1 Rutkowski J.

1 Szytuła A.

1 Wojtczak L.

1 Zajac Š.

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Electronic Structure and Thermodynamic Properties of RNi₅Sn (R = La, Ce, Pr, Nd) Compounds

Pressure Influence on the Curie Temperature