Electronic States in Amorphous Solids, Liquids, and Alloys

Author:

Bar-Yam Y.,Adler D.,Joannopoulos J. D.

Abstract

AbstractWe describe elements of a thermodynamical ensemble theory of electronic states in a variety of disordered systems. Equilibrium energies and kinetics of phase space exploration combine to determiine the ensembles describing disordered systems. Electronic properties are then related to structural energies. This relationship serves to determine the distribution of electronic states present in real materials. Thus we obtain directly electronic properties without a need for detailed microscopic information about the diverse systems. Applications range from the Urbach edge to defect properties providing a unified understanding.

Publisher

Springer Science and Business Media LLC

Subject

General Engineering

Reference39 articles.

1. Absorption edge and internal electric fields in amorphous semiconductors

2. Intrinsic dangling-bond density in hydrogenated amorphous silicon

3. 6. Equilibration of the electronic density of states corresponds to equilibration of structural degrees of freedom. Generally, but not always, equilibration of electronic occupations occurs under such circumstances.

4. 5. Chemical potentials may be introduced to impose system constraints (eg. stoichiometry, boundary conditions, flatness of space). A second type of “pixing” transition can be introduced which occurs when system constraints (boundary conditions, flatness of space) result in the inaccessibility of all states of lower energy than those accessible at a temperature Tx. For such systems freezing may occur even when barriers may still be overcome. For example, dislocations at interfaces. This picture is closely related to structural constraint models which are equivalent to redefining the ground state.

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