A DFT+U and Monte Carlo study of Gd2Zr2O7 pyrochlore

Pyrochlore oxides, specifically Gd2Zr2O7, have been a subject of interest due to their unique structural, physical, and magnetic properties. These properties make pyrochlore oxides potential candidates for various technological applications, including magnetocaloric refrigeration. Magnetocaloric ref...

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Bibliographic Details
Published inCeramics international Vol. 50; no. 21; pp. 43961 - 43968
Main Authors Belhamra, S., Masrour, R.
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 01.11.2024
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ISSN0272-8842
DOI10.1016/j.ceramint.2024.08.247

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Summary:Pyrochlore oxides, specifically Gd2Zr2O7, have been a subject of interest due to their unique structural, physical, and magnetic properties. These properties make pyrochlore oxides potential candidates for various technological applications, including magnetocaloric refrigeration. Magnetocaloric refrigeration is a promising alternative to conventional refrigeration methods, as it is more energy-efficient and environmentally friendly. By studying the magnetocaloric effect of pyrochlore oxides like Gd2Zr2O7, researchers can gain a deeper understanding of the underlying mechanisms and potential applications of these materials in magnetocaloric refrigeration systems. By employing advanced computational methods such as Monte Carlo simulations and first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW) a technique is employed to examine the magnetic structure, researchers can investigate the magnetocaloric effect of pyrochlore oxides with high accuracy and precision. This information has the potential to aid in the advancement of more effective magnetocaloric systems materials and ultimately lead to the design and optimization of advanced magnetocaloric refrigeration systems.
ISSN:0272-8842
DOI:10.1016/j.ceramint.2024.08.247