Prediction of a Dynamically Stable New Half-Metallic Phase for the BaN and BaC Compounds
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DOI: 10.1007/s10948-018-4913-3
Abstract: The structural, magnetic, elastic, mechanical, and thermodynamic properties of BaC and BaN compounds in different phases were studied using first-principle calculations based on spin-polarized density functional theory within the generalized gradient approximation (GGA-PBEsol) and the… read more here.
Keywords: phase; ban bac; bac compounds; half metallic ... See more keywords