Tight-binding molecular-dynamics studies of defects and disorder in covalently bonded materials (Q57835781)

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7 January 2021

Tight-binding modelling of materials

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7 January 2021

Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon

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7 January 2021

Simplified method for calculating the energy of weakly interacting fragments

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https://api.crossref.org/works/10.1016%2FS0927-0256%2898%2900030-5

7 January 2021

Tight-binding molecular-dynamics study of defects in silicon

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7 January 2021

Tight-binding study of the electronic structure of amorphous silicon

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7 January 2021

Transferable tight-binding models for silicon

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7 January 2021

Green's-matrix calculation of total energies of point defects in silicon.

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7 January 2021

First-principles study of the structure and energetics of neutral divacancies in silicon

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7 January 2021

Fully relaxed point defects in crystalline silicon

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7 January 2021

Efficient linear scaling algorithm for tight-binding molecular dynamics.

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7 January 2021

Molecular-dynamics approach to lattice-relaxation effects on deep levels in semiconductors

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7 January 2021

Mechanisms of dopant impurity diffusion in silicon

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7 January 2021

Tight-binding molecular-dynamics study of point defects in GaAs

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7 January 2021

Structure and properties of amorphous gallium arsenide by tight-binding molecular dynamics

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7 January 2021

First-principles study of fully relaxed vacancies in GaAs

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7 January 2021

Ionization levels of As vacancies in as-grown GaAs studied by positron-lifetime spectroscopy

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7 January 2021

Native vacancies in semi-insulating GaAs observed by positron lifetime spectroscopy under photoexcitation.

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7 January 2021

Isolated arsenic-antisite defect in GaAs and the properties of EL2

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7 January 2021

Metastability of the isolated arsenic-antisite defect in GaAs

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7 January 2021

Observation of bulk defects by scanning tunneling microscopy and spectroscopy: Arsenic antisite defects in GaAs

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7 January 2021

Cation antisite defects and antisite-interstitial complexes in gallium arsenide

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7 January 2021

Bistability and metastability of the gallium vacancy in GaAs: The actuator of EL2?

1 reference

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7 January 2021

Identification of a defect in a semiconductor: EL2 in GaAs

1 reference

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7 January 2021

Metastable vacancy in the EL2 defect in GaAs studied by positron-annihilation spectroscopies

1 reference

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7 January 2021

Pressure dependence of deep levels of the As antisite, the Ga-vacancy-As-interstitial pair, and of the stable and metastable states of EL2

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7 January 2021

Computer simulation of local order in condensed phases of silicon

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7 January 2021

Many-body nature of the Meyer-Neldel compensation law for diffusion

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7 January 2021

A theoretical investigation on the chemical bonding of interstitial and vacancy defects in silicon during their migration

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7 January 2021

Formation and annihilation of a bond defect in silicon: Anab initioquantum-mechanical characterization

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7 January 2021

Hydrogen diffusion in silicon from tight-binding molecular dynamics

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7 January 2021

Proton diffusion in crystalline silicon.

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7 January 2021

Tight-binding quantum molecular-dynamics simulations of hydrogen in silicon

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7 January 2021

Empirical interatomic potential for silicon with improved elastic properties

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7 January 2021

New classical models for silicon structural energies

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7 January 2021

Environment-dependent interatomic potential for bulk silicon

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7 January 2021

Computer generation of structural models of amorphous Si and Ge

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7 January 2021

Event-Based Relaxation of Continuous Disordered Systems

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7 January 2021

Traveling through potential energy landscapes of disordered materials: The activation-relaxation technique

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7 January 2021

Structural, electronic, and vibrational properties of liquid and amorphous silicon: Tight-binding molecular-dynamics approach

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7 January 2021

Amorphous silicon studied by ab initio molecular dynamics: Preparation, structure, and properties.

1 reference

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7 January 2021

Tight-binding molecular-dynamics study of liquid Si

1 reference

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7 January 2021

Structural relaxation and defect annihilation in pure amorphous silicon

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7 January 2021

Topology of Amorphous Tetrahedral Semiconductors on Intermediate Length Scales

1 reference

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7 January 2021

Structural, electronic, and dynamical properties of amorphous gallium arsenide: A comparison between two topological models

1 reference

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7 January 2021

Molecular-dynamics simulations of amorphous Si

1 reference

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7 January 2021

Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems

1 reference

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7 January 2021

Finite-temperature properties of amorphous silicon

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7 January 2021

Defects, tight binding, and first-principles molecular-dynamics simulations on a-Si

1 reference

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7 January 2021

Calculation of elastic constants in defected and amorphous silicon by quantum simulations

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7 January 2021

Computer model of tetrahedral amorphous diamond

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7 January 2021

Tight-binding molecular-dynamics study of amorphous carbon

1 reference

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7 January 2021

Radial distribution function of amorphous carbon

1 reference

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7 January 2021

Structure, dynamics, and electronic properties of diamondlike amorphous carbon

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7 January 2021

Theory of diamondlike amorphous carbon

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7 January 2021

Atomic and electronic structure of amorphous Si from first-principles molecular-dynamics simulations

1 reference

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7 January 2021

Stability, chemical bonding, and vibrational properties of amorphous carbon at different mass densities

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7 January 2021

Model of hydrogenated amorphous silicon and its electronic structure

1 reference

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7 January 2021

Transferable tight-binding model for Si-H systems

1 reference

https://api.crossref.org/works/10.1016%2FS0927-0256%2898%2900030-5

7 January 2021

Hydrogen and defects in first-principles molecular-dynamics-modeled a-Si:H

1 reference

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7 January 2021

Molecular-dynamics study of defect formation in a-Si:H

1 reference

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7 January 2021

Structure of a-Si:H from Harris-functional molecular dynamics

1 reference

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7 January 2021

Reversible conductivity changes in discharge‐produced amorphous Si

1 reference

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7 January 2021

Energies and structural properties of hydrogen and related defects in molecular-dynamics-modeled a-Si:H

1 reference

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7 January 2021

Molecular-dynamics investigations of conformational fluctuations and low-energy vibrational excitations in a-Si:H

1 reference

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7 January 2021

Tight-binding molecular-dynamics study of density-optimized amorphous GaAs

1 reference

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7 January 2021

Neutron-scattering and ab initio molecular-dynamics study of vibrations in glassy GeSe2

1 reference

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7 January 2021

Ab initio molecular-dynamics study of the structural, vibrational, and electronic properties of glassy GeSe2

1 reference

https://api.crossref.org/works/10.1016%2FS0927-0256%2898%2900030-5

7 January 2021

Structure, electronic properties, and defects of amorphous gallium arsenide.

1 reference

https://api.crossref.org/works/10.1016%2FS0927-0256%2898%2900030-5

7 January 2021

Structure of hydrogenated amorphous silicon from ab initio molecular dynamics.

1 reference

https://api.crossref.org/works/10.1016%2FS0927-0256%2898%2900030-5

7 January 2021

First-principles simulations of a-Si and a-Si:H surfaces

1 reference

https://api.crossref.org/works/10.1016%2FS0927-0256%2898%2900030-5

7 January 2021