Elastic constants and observed ferromagnetism in inverse Heusler alloy Ti2CoAs using kjpaw pseudopotentials: A first-principles approach
作者： O.E. Osafile , P.O. Adebambo , G.A. Adebayo
DOI: 10.1016/J.JALLCOM.2017.05.338
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摘要: Abstract We performed density functional calculations of the structural parameters, spin-polarized projected state and elastic properties X2CoAs (X = Mn, Ti) inverse Heulser alloys, within Generalised Gradient Approximation (GGA). At first, we determined stable phases alloys other parameters such as lattice bulk modulus, its pressure derivatives, well three independent constants. The constants show that are brittle in nature revealed by Cauchy stress (C12 – C44). results also Mn2CoAs Heusler alloy is better plasticity material compared to Ti2CoAs alloy. spin polarised was obtained reported. present predicted both be Ferromagnetic with having magnetic property than Ti2CoAs.
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