US 2018/0121583 A1 · PHYSICAL MODELING OF ELECTRONIC DEVICES/SYSTEMS

Abstract

A method for modeling a material at least partially-defined by atomic information includes, for each of a plurality of configurations of the material, determining energy moments for a density of states of the respective configuration of the material, and generating a tight binding Hamiltonian matrix for the respective configuration of the material. The method further includes, for each of the plurality of configurations of the material, forming a tight binding model of the configuration of the material by resolving a linking of (i) the energy moments for the density of states of the material to (ii) the tight binding Hamiltonian matrix for the material. Still further the method includes, based on the tight binding models for each of the configurations of the material, forming an environmentally-adapted tight binding model

Claims20

Dependent claims

A method for modeling a material at least partially-defined by atomic information, the method comprising:

for each of a plurality of configurations of the material:
determining, by a linking module of a computing system, energy moments for a density of states of the respective configuration of the material;
generating, by the linking module, a tight binding Hamiltonian matrix for the respective configuration of the material, wherein the tight binding Hamiltonian matrix is at least partially expressed in terms of one or more tight binding parameters;
and
forming, by a linking module, a tight binding model of the configuration of the material by resolving a linking of (i) the energy moments for the density of states of the material to (ii) the tight binding Hamiltonian matrix for the material, wherein the tight binding model includes determined values of the one or more tight binding parameters.

2 more elements

A non-transitory computer-readable storage medium having stored thereon a set of instructions that specially configure a computing device such that, when executed by one or more processors, the instructions cause the computing device to:

for each of a plurality of configurations of the material:
determine energy moments for a density of states of the respective configuration of the material;
generate a tight binding Hamiltonian matrix for the respective configuration of the material, wherein the tight binding Hamiltonian matrix is at least partially expressed in terms of one or more tight binding parameters;
and
form a tight binding model of the configuration of the material by resolving a linking of (i) the energy moments for the density of states of the respective configuration of the material to (ii) the tight binding Hamiltonian matrix for the respective configuration of the material, wherein the tight binding model includes determined values of the one or more tight binding parameters.

2 more elements

Dependencies are inferred from the claim text.

Physical modeling of electronic devices/systems

Life of this patent

Physical modeling of electronic devices/systems

Life of this patent

Abstract

Claims20