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Machine learning based prediction of specific heat capacity for half-Heusler compounds
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Structural, Electronic, Mechanical and Optical Properties of RhZrZ (Z = As, Sb) Half-Heusler Compounds: First-Principles Calculations
Published 2024-01-01“…In this study, density functional theory (DFT) as it is implemented in the Quantum Espresso simulation package was employed to investigate the structural, electronic, mechanical and optical properties of RhZrZ (Z = As, Sb) half-Heusler compounds. Results reveal that both the two compounds are most stable in α phase. …”
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Isothermal section of the Ni-Mn-Sb ternary system at 773K
Published 2019-01-01“…And the crystal structure for the Half-Heusler compound κ (NiMnSb) is C1b-type (F-43m) with a = 0.5961 nm. …”
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