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Modulation instability in two-dimensional nonlinear Schrodinger lattice models with dispersion and long-range interactions
(Physical Review B: Condensed Matter and Materials Physics, 2003)
The problem of modulation instability of continuous wave and array soliton solutions within the framework of a two-dimensional continuum-discrete nonlinear Schrodinger lattice model, which accounts for dispersion and ...
Density functional study of the insulating ground states in CaFeO3 and La1/3Sr2/3FeO3 compounds
(Physical Review B: Condensed Matter and Materials Physics, 2005)
The origin of the insulating ground states and the charge disproportionation in the two Fe-based perovskite oxides, viz., CaFeO3 and La1/3Sr2/3FeO3, are examined from ab initio electronic structure calculations based on ...
Dimensional mismatch of the electron-phonon system and large polaron stability
(Physical Review B: Condensed Matter and Materials Physics, 2005)
We consider the scaling arguments in the adiabatic limit for materials in which one-dimensional (1D) electronic behavior is influenced by a higher-dimensional vibrational system. The system under consideration consists of ...
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 ...
Electronic structure of the substitutional versus interstitial manganese in GaN
(Physical Review B: Condensed Matter and Materials Physics, 2004)
Density-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site (Mn-Ga) versus the interstitial site (Mn-I). ...
Ab initio study of hyperfine interaction parameters in C14 Hf and Zr Laves-phase compounds
(Physical Review B: Condensed Matter and Materials Physics, 2009)
Using ab initio density-functional theory approach the electric field gradients (EFGs) and hyperfine magnetic fields (HMFs) for the isostructural C14 Laves-phase compounds HfCr(2), HfFe(2), HfMn(2), ZrCr(2), and ZrMn(2) ...
Influence of quantum lattice fluctuations on the stability of large polarons in anisotropic electron-phonon systems
(Physical Review B: Condensed Matter and Materials Physics, 2007)
We discuss the stability of large polarons in anisotropic media taking into account small-polaron narrowing of the electron band. It was shown that electron-phonon interaction may cause an additional anisotropy of the ...
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 ...
Dynamic polarization of graphene by moving external charges: Random phase approximation
(Physical Review B: Condensed Matter and Materials Physics, 2009)
We evaluate the stopping and image forces on a charged particle moving parallel to a doped sheet of graphene by using the dielectric-response formalism for graphenes pi-electron bands in the random phase approximation ...
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 ...