The results of ab-initio calculations of the electronic density of states and band electronic structure of the Ni$\text{}_{3}$Al and Ni$\text{}_{3}$Ga alloys are presented.. The calculations are performed with the use of the linear-muffin-tin-orbital (LMTO) method in the atomic sphere approximation. The Barth-Hedin parametrization of the local density exchange correlation energy is used
First principles density functional theory calculations were performed on pure and doped Ni3Al. The ...
The electronic structure of the intermetallic LaNi3B as well as the novel hydride LaNi3BH3 have been...
In the present work, we have investigated the structural and electronic properties of TMAl (TM = Fe,...
The equilibrium structure, electronic, and magnetic properties of NiAl, (n=1, 8) clusters are invest...
We present the results of experimental and theoretical study of the structural and electronic proper...
This work investigates the charge transfer and A1 (Ga) p-Ni d hybridization effects in the intermeta...
Experimental Al KL(23)V and Ni LMM Auger and high-resolution valence band XPS spectra of Al3Ni and A...
A study of the electronic structures of NiSi and NiAl employing electron spectroscopies and theoreti...
The electronic structure of the A15 compounds A3B A=Nb; B=Al,Ga,Ge,Sn and In is studied by means of ...
International Conference of Computational Methods in Sciences and Engineering 2014 (ICCMSE) -- APR 0...
The least computational expensive Hamiltonian (methods) and wavefunction (basis sets) for diatomic n...
The band structure investigations for $Sm(Ni_{1-x}Co_{x})_3$ alloys by means of X-ray photoelectron ...
We report ab initio density-functional calculations of the structural, electronic, and optical prope...
[[abstract]]This work investigates the charge transfer and A1 (Ga) p-Ni d hybridization effects in t...
The cleavage strength of grain boundaries in L12 type of intermetallic compounds (Ni3Al) is investig...
First principles density functional theory calculations were performed on pure and doped Ni3Al. The ...
The electronic structure of the intermetallic LaNi3B as well as the novel hydride LaNi3BH3 have been...
In the present work, we have investigated the structural and electronic properties of TMAl (TM = Fe,...
The equilibrium structure, electronic, and magnetic properties of NiAl, (n=1, 8) clusters are invest...
We present the results of experimental and theoretical study of the structural and electronic proper...
This work investigates the charge transfer and A1 (Ga) p-Ni d hybridization effects in the intermeta...
Experimental Al KL(23)V and Ni LMM Auger and high-resolution valence band XPS spectra of Al3Ni and A...
A study of the electronic structures of NiSi and NiAl employing electron spectroscopies and theoreti...
The electronic structure of the A15 compounds A3B A=Nb; B=Al,Ga,Ge,Sn and In is studied by means of ...
International Conference of Computational Methods in Sciences and Engineering 2014 (ICCMSE) -- APR 0...
The least computational expensive Hamiltonian (methods) and wavefunction (basis sets) for diatomic n...
The band structure investigations for $Sm(Ni_{1-x}Co_{x})_3$ alloys by means of X-ray photoelectron ...
We report ab initio density-functional calculations of the structural, electronic, and optical prope...
[[abstract]]This work investigates the charge transfer and A1 (Ga) p-Ni d hybridization effects in t...
The cleavage strength of grain boundaries in L12 type of intermetallic compounds (Ni3Al) is investig...
First principles density functional theory calculations were performed on pure and doped Ni3Al. The ...
The electronic structure of the intermetallic LaNi3B as well as the novel hydride LaNi3BH3 have been...
In the present work, we have investigated the structural and electronic properties of TMAl (TM = Fe,...