First principles and Monte Carlo calculations of structural and magnetic properties of FeNiMnAl heusler alloys
MATEC Web of Conferences, ISSN: 2261-236X, Vol: 33
2015
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Conference Paper Description
The composition dependences of crystal lattice parameters, bulk moduli, magnetic moments, magnetic exchange parameters, and Curie temperatures in FeNiMnAl (0.2 ≤ x ≤ 1.8; 0.0 ≤ y ≤ 0.6) Heusler alloys are investigated with the help of first principles and Monte Carlo calculations. It is shown that equilibrium lattice parameters and Mn-Mn magnetic exchange interactions increase with increasing Fe content (x). A crossover from ferromagnetic to antiferromagnetic interaction between nearest neighbors Mn and Mn atoms was observed in compositions with x ≥ 1.4 and 0.2 ≤ y ≤ 0.6. Such magnetic competitive behavior points to a complex magnetic structure in FeNiMnAl. Calculated values of lattice parameters, magnetic moments, and Curie temperatures are in a good agreement with other theoretical results and available experimental data.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84976472474&origin=inward; http://dx.doi.org/10.1051/matecconf/20153305002; http://www.matec-conferences.org/10.1051/matecconf/20153305002; http://www.matec-conferences.org/10.1051/matecconf/20153305002/pdf; https://dx.doi.org/10.1051/matecconf/20153305002; https://www.matec-conferences.org/articles/matecconf/abs/2015/14/matecconf_esomat2015_05002/matecconf_esomat2015_05002.html
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