Ab initiostudy of thermodynamic, electronic, magnetic, structural, and elastic properties of Ni4N allotropes

Epitaxial growth and magnetic properties of NixFe4-xN (x = 0, 1, 3, and 4) films on SrTiO3(001) substrates

“…Table II summarizes substitution of Fe atom by Ni atom with a much smaller spin magnetic moment than Fe atom. Figure 10 shows the temperature dependence of magnetization of Ni 3 FeN measured at H ¼ 10 Oe applied along the Ni 3 FeN[100] axis, and T c was determined to be 266 K. This value is close to 287 K evaluated by Diao et al 28 In our present experimental result, Ni 4 N was paramagnetic, differently from our first-principle calculation and others 46,47 based on the assumption that the perfect degree of order of N atoms in a Ni 4 N lattice. The magnetization of our Ni 4 N film was much smaller than that of other compositions as shown in Fig.…”

An Ab Initio Study of Thermodynamic and Mechanical Stability of Heusler-Based Fe2AlCo Polymorphs

“…This fact is in line with the link between mechanical and thermodynamic stability identified also in other systems when thermodynamically less stable phases possess also lower mechanical stability. This trend was shown in the case of Ti-Nb bcc alloys [ 42 ], different polymorphs of Ni N [ 43 ], fcc alloys [ 44 ] or in the case of 5(210) grain-boundary interface states with different chemical compositions in Ni (Al,Si) intermetallics [ 45 ].…”

Exchange interactions and Curie temperatures of the tetrametal nitrides Cr4N, Mn4N, Fe4N, Co4N, and Ni4N

“…Many articles discussing the magnetic ground states, possible metamagnetic transitions under pressure, as well as densities of states of the tetrametal nitrides with perovskite structure are found in the literature [19,20,21,22,23,24,25,26,27,28,29]. It is the aim of the present article to create an understanding for the experimentally observed Curie temperatures of the magnetic tetrametal nitrides, to predict the Curie temperatures for compounds for which a direct measurement is inaccessible, and to serve as a reference for the expected intrinsic properties of these compounds.…”