Effective two-dimensional Hamiltonian at surfaces
By means of decimation techniques as applied in the renormalization-group method, a new
method is proposed to obtain the effective interactions for two-dimensional Hamiltonians at …
method is proposed to obtain the effective interactions for two-dimensional Hamiltonians at …
Theory of inhomogeneous quantum systems. IV. Variational calculations of metal surfaces
E Krotscheck, W Kohn, GX Qian - Physical Review B, 1985 - APS
We present results of variational calculations for the jellium model of metal surfaces. The
ground-state wave function is represented by a product of local one-and two-body functions …
ground-state wave function is represented by a product of local one-and two-body functions …
Structural phase diagrams for the surface of a solid: a total-energy, renormalization-group approach
J Ihm, DH Lee, JD Joannopoulos, JJ Xiong - Physical review letters, 1983 - APS
Total-energy calculations based on microscopic electronic structure are combined with
position-space renormalization-group calculations to predict the structural phase transitions …
position-space renormalization-group calculations to predict the structural phase transitions …
Application of the renormalization group technique to the problem of phase transition in one-dimensional metallic systems. I. Invariant couplings, vertex, and one …
N Menyhárd, J Sólyom - Journal of Low Temperature Physics, 1973 - Springer
A one-dimensional system of electrons interacting via a BCS-type interaction is investigated
by renormalization group techniques in two successive approximations at T= 0, keeping only …
by renormalization group techniques in two successive approximations at T= 0, keeping only …
Surfaces of real metals by the variational self-consistent method
R Monnier, JP Perdew - Physical Review B, 1978 - APS
We present a self-consistent calculation of the ground state of the metallic planar surface in
which the discrete-lattice perturbation δ v (r→) is treated variationally, with use of a single …
which the discrete-lattice perturbation δ v (r→) is treated variationally, with use of a single …
A subroutine package for computing Green's functions of relaxed surfaces by the renormalization method
J Henk, W Schattke - Computer physics communications, 1993 - Elsevier
We present a subroutine package for the computation of Green's functions of relaxed
surfaces and the bulk within the framework of a tight-binding basis. The application of a …
surfaces and the bulk within the framework of a tight-binding basis. The application of a …
Electronic states at unrelaxed and relaxed GaAs (110) surfaces
EJ Mele, JD Joannopoulos - Physical Review B, 1978 - APS
We have shown that, using a general class of Hamiltonians, the transfer-matrix technique
may be used to obtain exact solutions for the electronic states at any crystal surface …
may be used to obtain exact solutions for the electronic states at any crystal surface …
Lattice relaxation at a metal surface
RP Gupta - Physical Review B, 1981 - APS
It is shown that all interatomic potentials of the classical type—Morse, Lennard-Jones, etc.,—
yield, by their very nature, an expansion of the interlayer separation between the topmost …
yield, by their very nature, an expansion of the interlayer separation between the topmost …
Self-consistent pseudopotential calculations on Si (111) unreconstructed and (2× 1) reconstructed surfaces
A recently developed method for the self-consistent calculation of localized configurations
has been applied to the Si (111) surface. Results have been obtained for unrelaxed …
has been applied to the Si (111) surface. Results have been obtained for unrelaxed …
Simple scheme for surface-band calculations. II. The Green's function
DH Lee, JD Joannopoulos - Physical Review B, 1981 - APS
We present a very simple scheme for calculating the Green's function of a semi-infinite
surface system described within a localized orbital basis. By generating a series of matching …
surface system described within a localized orbital basis. By generating a series of matching …