Abstract
Density Functional Theory (DFT) calculations are performed using full potential linearized augmented plane wave (FP-LAPW) method within GGA and GGA+U formalisms to investigate the structural, thermodynamic, electronic, magnetic, optical, and thermoelectric properties of the Tb2Rh3Ge alloy. From optimization of lattice parameter, the ferromagnetic state is observed as the more stable than paramagnetic state. The compound has a ferromagnetic metallic character. The optical parameters of alloy have been calculated. Through the non-equilibrium Gibbs functions, we have computed the thermal expansion, the heat capacities, coefficient and the Debye temperatures.
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