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cond-mat.mtrl-sci2025
Anomalous Power Factor Enhancement and Local Structural Transition in Ni-Doped TiCoSb
Suman Mahakal, Pallabi Sardar, Diptasikha Das +6
We report a significant enhancement (~269%) in the power factor (PF) and a local structural transition in Ni-doped TiCoSb samples (TiCo_{1-x}Ni_xSb, (x= 0.0, 0.01, 0.02, 0.03, 0.04…
cond-mat.mtrl-sci2025
Meta-GGA dielectric-dependent and range-separated screened hybrid functional for reliable prediction of material properties
Subrata Jana, Abhishek Bhattacharjee, Suman Mahakal +2
We propose a range-separated hybrid exchange-correlation functional to calculate solid-state material properties. The functional mixes Hartree-Fock exchange with the semilocal exch…