Articles

type: Journal
Title DOI Date
Novel description of bonding and magnetism in 3d transition metal arsenides # 1392 - 06
First-principles study of H2 adsorption on the pristine and oxidized (8 0) carbon nanotube # 1392 - 06
First-principle calculation of spin polarization in Cu3N2 # 1392 - 03
Ab-initio study of different structures of CaC Magnetism Bonding and Lattice Dynamics # 1392 - 03
First-principles prediction of half-metallicity at the low index surfaces of rocksalt KS # 1392 - 02
The Effect of Oxygen Molecule Adsorption on Structural and Electrical Properties of (8 0) Carbon Nanotube A Density Functional Study # 1392 - 01
First-principles insights into p magnetism in CaC and CaN ionic compounds # 1392 - 01
First-principles study of ring to cage structural crossover in small ZnO Clusters # 1391 - 08
Density functional study of narrow cubic MnSe nanowires Role of MnSe chains # 1390 - 01
Stable structure and magnetic state of ultrathin CrAs films on GaAs(001) A density functional theory study # 1389 - 09
Electric field gradient and magnetic hyperfine field in the bulk and surfaces of a-MnAs compound # 1389 - 09
Study of Co2MnAl Heusler alloy as half metallic ferromagnet # 1389 - 03
Robust half-metallicity at the zincblende CrTe(001) surfaces and its interface with ZnTe (001) # 1389 - 01
Physical Properties of III-Antiminodes a First Principles Study # 1388 - 06
First-principles study of the Co2FeSi(001) surface and Co2FeSi/GaAs(001) interface # 1388 - 03
Structural properties of narrow hexagonal MnAs nanowires Role of edge atoms # 1388 - 02
Structural properties of III-nitride binary compounds a comprehensive study # 1387 - 12
First principles study of bulk CrSe and CrSe/ZnSe(001) interface # 1387 - 09
Half-metallicity at the Heusler alloy Co2Cr0.5Fe0.5Al(001) surface and its interface with GaAs(001) # 1387 - 01
Spin and orbital magnetism in ordered Fe3 Si1 binary Heusler structures Theory versus experiment # 1386 - 12