The electronic structure of the (001) and (110) surfaces for B2 Ti-based transition metal alloys were investigated using the full-potential linearized augmented plane-wave method in the local-density approximation. The evolution of the electronic structure of alloys at the different surfaces in comparison with the bulk ground states is analyzed. The ferromagnetic order is displayed in the case of Fe or Co top layer for the (001) surface. The surface magnetic moment of Fe and Co (2.27 mu(B) and 0.87 mu(B)) reduces drastically inside the film. The influence of a surface on the electron properties of alloys is discussedclose01
International audienceThe scanning tunneling microscopy (STM) and atomic force microscopy (AFM) imag...
In order to understand physical and chemical effects in the hydrogen adsorption on the transition me...
We present an ab initio study of the magnetic surface reconstructions of the B2 FeV alloy using a se...
The self-consistent band structure calculations of the ordered and disordered intermetallic titanium...
The electronic structure of the FeTi(110) surface has been calculated theoretically using the self-c...
Thé electronic structure of different surfaces for B2-and B19'-TiNi were investigated using the full...
The electronic structure of different surfaces for B2- and B19'-TiNi were investigated using the ful...
The electronic structure of different surfaces for B2- and B19'-TiNi were investigated using th...
The electronic and structural properties for TiMe (Me = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) alloys a...
We have used the symmetrized fall-potential linearized augmented plane wave method for sIab geometry...
Abstract. We present an ab initio study of the magnetic surface reconstructions of the B2 FeV alloy ...
The spin-polarized electronic structure of magnetic transition metallic materials is shown to be a f...
The present thesis concerns applications of first principles electronic structure calculations in co...
The electronic structure of Pd-covered TiFe (001) surface was studied using the full-potential linea...
Using density functional theory based ab initio calculations, we investigated the effects of Ti/Al(0...
International audienceThe scanning tunneling microscopy (STM) and atomic force microscopy (AFM) imag...
In order to understand physical and chemical effects in the hydrogen adsorption on the transition me...
We present an ab initio study of the magnetic surface reconstructions of the B2 FeV alloy using a se...
The self-consistent band structure calculations of the ordered and disordered intermetallic titanium...
The electronic structure of the FeTi(110) surface has been calculated theoretically using the self-c...
Thé electronic structure of different surfaces for B2-and B19'-TiNi were investigated using the full...
The electronic structure of different surfaces for B2- and B19'-TiNi were investigated using the ful...
The electronic structure of different surfaces for B2- and B19'-TiNi were investigated using th...
The electronic and structural properties for TiMe (Me = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) alloys a...
We have used the symmetrized fall-potential linearized augmented plane wave method for sIab geometry...
Abstract. We present an ab initio study of the magnetic surface reconstructions of the B2 FeV alloy ...
The spin-polarized electronic structure of magnetic transition metallic materials is shown to be a f...
The present thesis concerns applications of first principles electronic structure calculations in co...
The electronic structure of Pd-covered TiFe (001) surface was studied using the full-potential linea...
Using density functional theory based ab initio calculations, we investigated the effects of Ti/Al(0...
International audienceThe scanning tunneling microscopy (STM) and atomic force microscopy (AFM) imag...
In order to understand physical and chemical effects in the hydrogen adsorption on the transition me...
We present an ab initio study of the magnetic surface reconstructions of the B2 FeV alloy using a se...