Study of structural, electronic and magnetic properties of Rh2MnX (X=Al, Ge and Sn) Heusler alloys using GGA-WC and GGA+U approaches

First-Principles Calculations of Structural, Electronic, Magnetic and Elastic Properties of Heusler Alloys Ru2CoZ (Z = Si, Ge and Sn)

“…In contrast, they are very close to the structure reported for Rh 2 MnX (X ¼ Al, Ge and Sn) compounds. 31 The total and local spin magnetic moments of Ru 2 CoZ (Z ¼ Si, Ge and Sn) using GGA-PBE and mBJ-GGA-PBE are listed in Table 2. The main contribution in all cases comes from cobalt anion, and the magnetic moments of Z (Si, Ge and Sn) and the interstitial region are very small.…”

A novel theoretical study of elastic and electronic properties of Os2YAl, (Y=Sc, Ti, V) Heusler Alloys

“…Full and Half-Heusler alloys have a broad family of multifunctional materials for spintronic compound [2][3][4][5][6][7][8], shape memory alloys [9], superconducting ground state [10], and thermoelectric materials [11], Heusler alloys have Slater-Pauling behavior [12], higher curie temperature [13][14][15], Heusler's alloys are important materials in terms of their interesting properties such as electronic localization, itinerant magnetism, antiferromagnetism, helimagnetism, Pauli paramagnetism or the behavior of heavy fermions [16], Many researchers have discovered some full-Heusler alloys are not half-metals, but they present a metallic character because of the metallic nature of their spin-polarized electronic structures [17][18][19][20]. Among full-Heusler alloys, the Rh2CrGe [17] and Rh2MnTi alloys [18] which showed the metallic character, due to overlap between valence bands and conduction bands at the Fermi level with the two spins channels. While other researchers have shown that the metallic character of certain compounds products from the contribution of Rh, and (Cr,Mn)-3d states around the Fermi level [17,18].…”

“…Among full-Heusler alloys, the Rh2CrGe [17] and Rh2MnTi alloys [18] which showed the metallic character, due to overlap between valence bands and conduction bands at the Fermi level with the two spins channels. While other researchers have shown that the metallic character of certain compounds products from the contribution of Rh, and (Cr,Mn)-3d states around the Fermi level [17,18]. The regular Heusler compounds X 2 YZ, with 2:1:1 stoichiometry, crystallize in the cubic L 21 structure (Fm3 m, space group 225) with Cu 2 MnAl as the prototype [21,22].…”

Computational study of structural stability, elastic, electronic, magnetic and thermodynamic properties of the Rh2-based full-Heusler compounds: Rh2MnZ (Z = Sn, Pb, Tl) by FP-LAPW method

“…Full-Heusler compounds have recently attracted a strong attention for their relatively high Curie temperature and large magnetic moment [1][2][3][4][5][6][7][8][9], and for their useful applications as ferromagnetic shape memory alloys [10][11][12], spintronic devices [13] and magnetic actuator [14]. Amongst the full-Heusler alloys, the Rh containing compounds, which have recently investigated by many theoretical and experimental researchers [15][16][17][18][19][20][21][22][23][24][25][26][27][28] to determine different properties, was firstly studied by Suits [29] to investigate the magnetic and structural properties for ferromagnetic compounds of the form Rh 2 MnX where X is Al, Ga, In, Tl, Sn, Pb, and Sb. He found that the exchange is described in terms of competing ferromagnetic Mn-Rh-Mn interactions and antiferromagnetic Mn-Mn interactions.…”