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Lattice relaxation effects on the interface electron states in the perovskite oxide heterostructures: LaTiO3 monolayer embedded in SrTiO3
(Physical Review B: Condensed Matter and Materials Physics, 2008)
We have studied the effect of the lattice relaxation on the interface electronic structure of LaTiO3/SrTiO3, focusing in particular on the wedge-shaped potential, the interface sub-bands, and the orbital ordering, from ...
Structure and electronic properties of Mo(3)Pt, MoPt(2), and MoPt(3): First-principles calculations
(Physical Review B: Condensed Matter and Materials Physics, 2008)
In particular, the enthalpy of formation of the investigated intermetallics is considered and their bonding properties, as obtained from the atoms in molecules theory, are analyzed. The results are discussed in view of the ...
Polarization of supported graphene by slowly moving charges
(Physical Review B: Condensed Matter and Materials Physics, 2008)
We describe the dynamic polarization of graphenes pi electrons by means of the Vlasov equations in the relaxation-time approximation and evaluate the stopping and the image forces on slow ions moving parallel to a supported ...
Influence of antiferromagnetic spin ordering on the far-infrared active optical phonon modes of alpha-MnSe
(Physical Review B: Condensed Matter and Materials Physics, 2008)
The effects of spin-phonon interaction and magnetic anisotropy on the temperature dependence of the infrared optical phonon modes in the antiferromagnetic alpha-MnSe are investigated by use of Greens function formalism ...
Electronic properties of bilayered manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) from first-principles calculations
(Physical Review B: Condensed Matter and Materials Physics, 2008)
By means of first-principles calculations using spin-polarized generalized gradient approximation method and ultrasoft pseudopotentials, the electronic and magnetic structure of the recently synthesized orthorhombic phase ...