First-principles and Monte Carlo study of magnetostructural transition and magnetocaloric properties of Ni2+xMn1xGa

V. D. Buchelnikov, V. V. Sokolovskiy, H. C. Herper, H. Ebert, M. E. Gruner, S. V. Taskaev, V. V. Khovaylo, A. Hucht, A. Dannenberg, M. Ogura, H. Akai, M. Acet, and P. Entel
Phys. Rev. B 81, 094411 – Published 11 March 2010

Abstract

First-principles calculations of magnetic exchange parameters of the austenitic and martensitic phases of Ni-Mn-Ga allow one to characterize this Heusler system across the phase diagram in agreement with experimental trends. The ab initio investigations have been combined with Monte Carlo simulations for a detailed description of the magnetic, martensitic, and magnetocaloric properties of Ni2+xMn1xGa (0.18x0.27) Heusler alloys, which undergo a first-order magnetostructural phase transition. For these alloys, the calculated temperature dependence of the magnetic and lattice contributions to the total specific heat as well as the evaluation of the isothermal magnetic entropy ΔSmag(T,Hext) and adiabatic temperature ΔT(T,Hext) changes around the magnetostructural transition in an external magnetic field agree fairly well with the experimental data. In particular, results for ΔSmag(T,Hext) and ΔT(T,Hext) may be used to speculate about designing new magnetic Heusler alloys with better magnetocaloric properties, i.e., larger ΔT(T,Hext) values.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
10 More
  • Received 5 December 2009

DOI:https://doi.org/10.1103/PhysRevB.81.094411

©2010 American Physical Society

Authors & Affiliations

V. D. Buchelnikov1, V. V. Sokolovskiy1,2, H. C. Herper2, H. Ebert3, M. E. Gruner2, S. V. Taskaev1, V. V. Khovaylo4, A. Hucht2, A. Dannenberg2, M. Ogura5, H. Akai5, M. Acet2, and P. Entel2

  • 1Condensed Matter Physics Department, Chelyabinsk State University, 454001 Chelyabinsk, Russia
  • 2Faculty of Physics and Center for Nanointegration, CeNIDE, University of Duisburg–Essen, D-47048 Duisburg, Germany
  • 3Department of Chemistry and Biochemistry/Physical Chemistry, LMU Munich, Butenandtstraße 11, D-81377 Munich, Germany
  • 4National University of Science and Technology “MISiS,” Moscow 119049, Russia
  • 5Department of Physics, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 81, Iss. 9 — 1 March 2010

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×