First-principles and Monte Carlo study of magnetostructural transition and magnetocaloric properties ofNi2+xMn1−xGa

Magnetocaloric and magnetic properties of Ni2Mn1−xCuxGa Heusler alloys: An insight from the direct measurements and ab initio and Monte Carlo calculations

“…Note that in previous calculations 45,46 the 3-5 states Potts model was used where the spin moments S with 2S þ 1 spin projections of Ni ðÀ1; 0; 1Þ and Mn ðÀ2; À1; 0; 1; 2Þ were characterized by Potts states q Ni ¼ 3 and q Mn ¼ 5, respectively. However, Kimura et al 47 observed that in Mn-based magnetic intermetallic compounds, specifically in Heusler alloys, the ferromagnetic moment of Mn atoms is characterized by a Mn 2þ form factor which corresponds to the spin value 5/2 with spin projections ðÀ5=2; À3=2; À1=2; 1=2; 3=2; 5=2Þ.…”

“…Approximately the same behavior of the Mn-Mn interaction has been observed early in the works. 44,45 The Curie temperatures of austenitic and martensitic phases were calculated within the mean-field approximation of the Heisenberg model for a multisublattice material by solving a system of coupled equations 44…”

First Principles and Monte Carlo Calculations of Structural and Magnetic Properties of FexNi2-xMn1+yAl1-yHeusler Alloys

“…Threedimensional lattice containing 3925 atoms with periodic boundary conditions was considered. The simulations were carried out by using using the classical Metropolis algorithm [18].…”

Compositional trends in Ni-Mn-Ga Heusler alloys: first-principles approach

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15]). Such high interest is related to the unique properties exhibited by the prototypical stoichiometric shape-memory compound Ni 2 MnGa.…”