Add to ORKGPhase stability, magnetic behavior and theoretical strength of Ni3Al is studied by means of first-principles electronic structure calculations. Total energy calculations are performed along the trigonal and tetragonal deformation paths. The phase boundaries between the ferromagnetic and non-magnetic phase are determined
The magnetic ground state of a well-characterised and highly ordered Ni3Al sample has been studied b...
International audienceXPS, magnetization and magnetic susceptibility measurements of Ni1-xMnxAl (x =...
The structural stabilities, elastic, electronic and magnetic properties of the Heusler-type shape me...
We present the results of experimental and theoretical study of the structural and electronic proper...
The investigation on the structures, stabilities, and magnetism of NimAln (m=1–3, n=1–9) clusters ha...
First principles density functional theory calculations were performed on pure and doped Ni3Al. The ...
We report ab initio density-functional calculations of the structural, electronic, and optical prope...
Ordered intermetallics have emerged as promising candidates for high temperature structural applicat...
First-principles calculations have been performed for a variety of Ni3X (X = C, N) phases, as well a...
The local electronic and magnetic structure, hyperfine interactions, and phase composition of polycr...
used to calculate phase stability, lattice vibrational frequencies, point defect properties, antipha...
The equilibrium structure, electronic, and magnetic properties of NiAl, (n=1, 8) clusters are invest...
The first principles calculations were performed to study the sit preferences and effects on elastic...
Phase boundaries between ferromagnetic and non-magnetic regions in tetragonally deformed Ni3Al were ...
The cleavage strength of grain boundaries in L12 type of intermetallic compounds (Ni3Al) is investig...
The magnetic ground state of a well-characterised and highly ordered Ni3Al sample has been studied b...
International audienceXPS, magnetization and magnetic susceptibility measurements of Ni1-xMnxAl (x =...
The structural stabilities, elastic, electronic and magnetic properties of the Heusler-type shape me...
We present the results of experimental and theoretical study of the structural and electronic proper...
The investigation on the structures, stabilities, and magnetism of NimAln (m=1–3, n=1–9) clusters ha...
First principles density functional theory calculations were performed on pure and doped Ni3Al. The ...
We report ab initio density-functional calculations of the structural, electronic, and optical prope...
Ordered intermetallics have emerged as promising candidates for high temperature structural applicat...
First-principles calculations have been performed for a variety of Ni3X (X = C, N) phases, as well a...
The local electronic and magnetic structure, hyperfine interactions, and phase composition of polycr...
used to calculate phase stability, lattice vibrational frequencies, point defect properties, antipha...
The equilibrium structure, electronic, and magnetic properties of NiAl, (n=1, 8) clusters are invest...
The first principles calculations were performed to study the sit preferences and effects on elastic...
Phase boundaries between ferromagnetic and non-magnetic regions in tetragonally deformed Ni3Al were ...
The cleavage strength of grain boundaries in L12 type of intermetallic compounds (Ni3Al) is investig...
The magnetic ground state of a well-characterised and highly ordered Ni3Al sample has been studied b...
International audienceXPS, magnetization and magnetic susceptibility measurements of Ni1-xMnxAl (x =...
The structural stabilities, elastic, electronic and magnetic properties of the Heusler-type shape me...