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
|