Volume dependence of magnetic properties in Co2Cr1-xYxGa (Y= Ti-Ni) Heusler alloys: A first-principles study

authors	Goncalves, JN; Fortunato, NM; Amaral, JS; Amaral, VS
nationality	International
journal	JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
author keywords	Heusler alloys; Curie temperature; Pressure; Volume dependence
keywords	CURIE-TEMPERATURE; EXCHANGE INTERACTIONS; HYDROSTATIC-PRESSURE; NI2MNSN; METALS
abstract	The magnetic properties tuning and volume dependence in the series of quaternary full Heusler alloys with formula Co2Cr1-xYxGa (Y= Ti, V, Mn, Fe, Co, Ni) were studied with a detailed first-principles exploration. We employ the density functional KKR method with the coherent potential approximation, estimating effective Heisenberg exchange constants via the magnetic force theorem together with mean-field Curie temperature (T-C) and magnetic moment for compositions in the whole concentration range. The volumetric dependency of these magnetic properties is studied, particularly the pressure derivatives of T-C at equilibrium. Our ternary alloy calculations show good agreement with local-density and generalized gradient approximations in the literature. The quaternary alloys show a wide range of tunable magnetic properties, where magnetic moments range from 0.8 to 4.9 mu B, T-C from 130 K to 1250 K, and dTC/dV values range from -7 to + 6.3 K angstrom(-3).
publisher	ELSEVIER SCIENCE BV
issn	0304-8853
year published	2017
volume	428
beginning page	362
ending page	367
digital object identifier (doi)	10.1016/j.jmmm.2016.12.102
web of science category	Materials Science, Multidisciplinary; Physics, Condensed Matter
subject category	Materials Science; Physics
unique article identifier	WOS:000397200800056