محفوظ في:
التفاصيل البيبلوغرافية
المؤلفون الرئيسيون: Poteryaev, A. I., Pchelkina, Z. V., Streltsov, S. V., Long, Y., Irkhin, V. Yu.
التنسيق: Preprint
منشور في: 2025
الموضوعات:
الوصول للمادة أونلاين:https://arxiv.org/abs/2502.17153
الوسوم: إضافة وسم
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جدول المحتويات:
  • Recently synthesized quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$ possesses strong ferromagnetism and unusual electron properties, including enhanced electronic specific heat. Application of the first principles electronic structure approaches unambiguously shows importance of the many-body effects in this compound. While CuCu$_3$Fe$_2$Re$_2$O$_{12}$ is half-metallic ferrimagnet in the DFT+U method, in the density functional theory (DFT) combined with the dynamical mean-field theory (DMFT) it appears to be a metal. Strong correlations lead to a renormalization of electronic spectrum and formation of incoherent states close to the Fermi level. Electronic specific heat and magnetic properties obtained in the DFT+DMFT approach are in better agreement with available experimental data than derived by other band structure techniques.