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pro vyhledávání: '"R. Garibay-Alonso"'
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Publikováno v:
International Journal of Hydrogen Energy. 42:4774-4781
The molecular structure of water under thermal and electric field effects is determined by using molecular dynamics simulation within a reactive force field and a charge equilibration schema. Focusing the study around the solid and liquid phases, oxy
Publikováno v:
Journal of Magnetism and Magnetic Materials. 514:167108
The effect of the spin–orbit coupling interaction and atomic relaxation, on the ground state non-collinear magnetism of deposited Fe thin films, on a Cu (001) surface, is studied by using first principles density functional theory calculations. The
Publikováno v:
The European Physical Journal D. 52:167-170
Finite temperature magnetic properties of small Fe N clusters (N ≤6) are determined in the framework of a spin-fluctuation itinerant-electron theory based on a functional integral formulation of the canonical partition function and derived statisti
Publikováno v:
Physica A: Statistical Mechanics and its Applications. 374:179-186
Molecular dynamics simulations were performed for eight different metals to calculate their constant volume heat capacity and latent heat in both liquid and solid phases. The atomic interaction for the simulations is taken as modeled by the n-body se
Publikováno v:
Physical Review B. 91
A local electronic theory of transition-metal magnetism at finite temperatures is presented, which takes into account longitudinal and transverse spin fluctuations on the same footing. The magnetic properties are determined in the framework of a rota
Publikováno v:
Solid State Communications. 137:249-252
The resonant tunneling of electrons through a magnetic quantum ring in a two-dimensional sample and the effect of this resonant tunneling on the conductivity of the sample are studied in this work. The ballistic conductance of the sample is calculate
Publikováno v:
Solid State Communications. 135:668-672
By using a degenerated d+s band model in the Hartree–Fock approximation, we calculate the ground-state spin local magnetic moments of Fe nanotubes with and without Cu coating. We focus on the variations of the spin local magnetic moments in the nan
Publikováno v:
Solid State Communications. 134:503-508
By using the d band model within the Hartree–Fock approximation, we calculate the magnetic ground state of free and deposited Fe N clusters ( N ≤30). Fe bcc and Cu fcc (100) monolayers are used as models for the deposition. A comparison between t