Electronic and magnetic properties of AlFe3 and AlFe3N nitride

Structural, magnetic and transport properties of Mn3.1Sn0.9 and Mn3.1Sn0.9N compounds

“…On the other hand, although AlFe 3 is ferromagnetic, the corresponding nitride, or AlFe 3 N is non-magnetic order due to the population of the spin-down d-states at Fe sites and a small charge transfer from N sites to Fe sites that occupied spin-down d-states [35]. For ZnFe 3 N, the reduction of magnetic moments of Fe sites can be viewed as a population effect since the charge transfer from N and Zn to iron atoms populates the spin down dstates, hence, lowering the magnetic moment at those sites [36].…”

“…For ZnFe 3 N, the reduction of magnetic moments of Fe sites can be viewed as a population effect since the charge transfer from N and Zn to iron atoms populates the spin down dstates, hence, lowering the magnetic moment at those sites [36]. In addition, SnFe 3 N has an electron donor character for N atoms [35]. Wiener and Berger [37] also proposed the donor theory for Mn 3 MN (M ≡ metal) in which one N atom donated three electrons to the neighboring atoms.…”

Electronic Structure and Magnetic Properties of Timn3n, Timn3 and Mnti3 Compounds Using Tb-Lmto Method

“…Analyzing the magnetic properties of these nitrides offers high wear resistant property to the materials. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. Some Titanium nitrides are considered as high technology materials often used in microelectronics, space technology, Aero planes industry and biomaterials, due to their exceptional physical and chemical properties [17][18][19].…”

Estudio sobre las propiedades estructurales, electrónicas y magnéticas de materiales de interés tecnológico por medio de cálculos cuánticos

“…En la misma tabla se muestran también los valores de a calculados junto con otros valores teóricos y experimentales obtenidos de la bibliografía. Para el AlFe 3 N, se observa una buena concordancia tanto con los valores experimentales [155,191] como teóricos [192][193][194][195] de otros autores, mientras que para el GaFe 3 N se encontró una buena relación entre el a calculado y el experimental [149,150], pero difiere levemente con el valor teórico publicado en [149]. En el caso del InFe 3 N, el a calculado es menor que el teórico obtenido en [113], pero más cercano a los valores experimentales publicados en [113,152].…”

“…Respecto al M f u , los valores obtenidos difieren considerablemente de los valores experimentales (Tabla 5.1), los cuales caracterizan a estos materiales como antiferromagnetos con un valor de M f u cercano a cero [113,115,149,191], mientras que los resultados teóricos reportan valores de M f u distintos de cero [113,156]. Teórico 3.7984 [192] 3.7900 [149] 3.9107 [113] 3.7715 [192] 3.7677 [193,194] 3.7150 [195] Experimental 3.7967 [155] 3.7974 [191] 3.8673 [113] 3.8026 [191] 3.8001 [149] 3.8788 [152] M f u (µ B /f u) 5.14 5.30 5.48…”