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DFT + U Study of structural, electronic, optical and magnetic properties of LiFePO4 Cathode materials for Lithium-Ion batteries
A. K. Wabeto, K. N. Nigussa, L. D. Deja
In this study, we have employed a DFT+U calculation using quantum-espresso (QE) code to investigate the structural, electronic, optical, and magnetic properties of LiFePO…
The amplitudons of dynamical stable binary cubic crystals for hot-electron cooling in BaTe, CdTe, SrTe and SnTe for enhanced photo voltaic effect
Tewodros Eyob Ada, Kenate Nemera Nigussa, Lemi Demeyu Deja +1
Dynamical properties of materials determined using force constant expansions in the HIPHIVE package and density functional theory as implemented in the Gpaw code. Thermal conductiv…
Electronic and Optical properties of TM-doped (8,0) SiC SWNT and the prospect of hydrogen storage
A. T. Mulatu, K. N. Nigussa, L. D. Deja
Properties of transition metal (TM) doped single wall (8,0) SiC nanotube is investigated using first principles density functional theory as implemented within quantum espresso cod…