Ab initio study of the composite phase diagram of Ni-Mn-Ga shape memory alloys

作者:Sokolovskaya Yu A; Sokolovskiy V V*; Zagrebin M A; Buchelnikov V D; Zayak A T
来源:Journal of Experimental and Theoretical Physics, 2017, 125(1): 104-110.
DOI:10.1134/S1063776117070111

摘要

The magnetic and structural properties of a series of nonstoichiometric Ni-Mn-Ga Heusler alloys are theoretically investigated in terms of the density functional theory. Nonstoichiometry is formed in the coherent potential approximation. Concentration dependences of the equilibrium lattice parameter, the bulk modulus, and the total magnetic moment are obtained and projected onto the ternary phase diagram of the alloys. The stable crystalline structures and the magnetic configurations of the austenitic phase are determined.

  • 出版日期2017-7