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Effects of bonding type and interface geometry on coherent transport through the single-molecule magnet Mn-12
(American Physical Society, 2010-03)
We examine theoretically coherent electron transport through the single-molecule magnet Mn-12, bridged between Au(111) electrodes, using the nonequilibrium Green's function method and the density-functional theory. We ...
Effect of pressure on a defect-related band-resonant vibrational mode in implanation-disordered GaAs
(American Physical Society, 1994-10)
We have used hydrostatic pressure as a means for studying a resonant Raman mode observed at 47 cm(-1) in highly disordered, ion implanted, unannealed GaAs. The mode shifts weakly (-0.07 +/- 0.15 cm(-1)/GPa), supporting an ...
Shot noise in nanoscale conductors from first principles
(American Physical Society, 2003-04)
We describe a field-theoretic approach to calculate quantum shot noise in nanoscale conductors from first principles. Our starting point is the second-quantization field operator to calculate shot noise in terms of single ...
Path-integral approach to the Hubbard model
(American Physical Society, 1991-02)
A path-integral approach to the Hubbard model is developed for the whole range of the coupling strength U. At half filling, the strong-coupling results are readily reproduced within the simple Gaussian fluctuations. The ...
Transmutation of the vicinal surface exponent due to gravity
(American Physical Society, 1988-04)
Near the edge of a facet, vicinal surfaces curve away from the plane with exponent (3/2. With gravity normal to the facet the exponent may change to 3. Generally, there will be a crossover from 3 to (3/2 as the facet edge ...
Koster-Slater model for the interface-state problem
(American Physical Society, 2000-10)
A Koster-Slater approach to the problem of localized states at semiconductor interfaces has been developed. It allows us to relate the existence and/or the energy position of interface states to some essential bulk features ...
Finite-basis many-electron approximation to the Anderson model
(American Physical Society, 1990-03)
A relatively simple many-electron basis is used to construct a matrix for the Anderson impurity Hamiltonian. The basis states are each valid in the thermodynamic limit. The approximate ground-state energy compares well ...
Transport in nanoscale conductors from first principles
(American Physical Society, 2002-01)
We describe a first-principles atomistic approach to calculate the electronic and atomic dynamics of nanoscale conductors under steady-state current flow. The approach is based on a self-consistent solution of the ...
Power spectrum of the current in systems with a conserved density
(American Physical Society, 1991-09)
Motivated by recent studies of model sandpiles, the power spectrum S of the current in dissipative dynamical systems with a conserved density is investigated. In contrast to self-organized criticality exhibited in certain ...
Effects of next-nearest-neighbor interactions on the orientation dependence of step stiffness: Reconciling theory with experiment for Cu(001)
(American Physical Society, 2004-12)
Within the solid-on-solid (SOS) approximation, we carry out a calculation of the orientational dependence of the step stiffness on a square lattice with nearest- and next-nearest-neighbor interactions. At low temperature ...