2018
DOI: 10.18257/raccefyn.653
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Thermodynamic properties, electronic and crystallographic structure, and magnetic response of the Sr2HoNbO6 material

Abstract: En el presente trabajo se utilizó el código Wien2k, en el marco de la teoría del funcional de la densidad de Kohn-Sham, aplicando el método de ondas planas aumentadas y linealizadas (full-potential linearized augmented plane wave, FP- LAPW) y adoptando la aproximación de gradiente generalizado (GGA) de Perdew, Burke y Ernzerhof para la energía de intercambio y correlación, así como la aproximación de densidad local (local density approximation, LDA) para el cálculo de la densidad de estados y la estructura de … Show more

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(1 citation statement)
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“…The variation of thermodynamic properties as a function of temperature and pressure can give relevant information for the understanding of the macroscopic behaviours exhibited by the material. Although this dependence of thermophysical properties has been carried out for perovskites of various structures [14,64], there are no references in the literature for the Dy 2 Bi 2 Fe 4 O 12 material. The Debye quasi-harmonic approximation was applied from the equation of state to obtain the specific heat at both constant volume and constant pressure in the temperature regime between 0 K and 1200 K, as exemplified in figure 4.…”
Section: Thermophysical Propertiesmentioning
confidence: 99%
“…The variation of thermodynamic properties as a function of temperature and pressure can give relevant information for the understanding of the macroscopic behaviours exhibited by the material. Although this dependence of thermophysical properties has been carried out for perovskites of various structures [14,64], there are no references in the literature for the Dy 2 Bi 2 Fe 4 O 12 material. The Debye quasi-harmonic approximation was applied from the equation of state to obtain the specific heat at both constant volume and constant pressure in the temperature regime between 0 K and 1200 K, as exemplified in figure 4.…”
Section: Thermophysical Propertiesmentioning
confidence: 99%