DFT+eDMFT Study of Finite-temperature Properties of Filled Skutterudite CeGe₄Pt₁₂

Current interest in the filled skutterudites stem from a range of observed physical phenomena, such as superconductivity, Kondo-lattice, heavy fermion, Fermi liquid behavior, etc, and due to thermoelectric properties at room temperature. Following up on our comprehensive density functional theory (DFT) study (PRB 100, 125114 (2019)) of the RPt_4Ge_12 (R=La, Ce, Pr) compounds, we have been performing temperature dependent calculations on these systems using first-principles self-consistent density functional theory with embedded-dynamical mean field theory (DFT+eDMFT). Here we present results for CeGe₄Pt₁₂, namely the temperature dependence of spectral function, density of states, hybridization, effective mass, susceptibility, and resistivity, and compare with experiments. Based on our calculations, we suggest that CeGe₄Pt₁₂ exhibits Curie-Weiss behavior at high temperature (indicating presence of local moments), a Kondo-lattice like behavior at intermediate temperatures (~80-50K), and a Fermi liquid state of screened local moments at low temperature (~10-5K).