Modeling positron-electron correlations in solids

L. Gilgien; R. Car; D. M. Ceperley

doi:10.4028/www.scientific.net/msf.255-257.52

Modeling positron-electron correlations in solids

L. Gilgien, R. Car, D. M. Ceperley

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

Two new LDA parametrizations for positron-electron correlations are proposed on the basis of Quantum Monte Carlo results in an homogeneous 2-component jellium. They are tested towards Quantum Monte Carlo results in a simple inhomogeneous model before being applied to the study of positron trapping at As vacancies in GaAs. In both systems, one parametrization overestimates the positron localization whereas the other one underestimates it.

Original language	English (US)
Pages (from-to)	52-56
Number of pages	5
Journal	Materials Science Forum
Volume	255-257
DOIs	https://doi.org/10.4028/www.scientific.net/msf.255-257.52
State	Published - 1997
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Keywords

Defects in Semiconductors
First-Principles Molecular Dynamics and 2D-ACAR
Positron-Electron Correlations
Quantum Monte Carlo

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10.4028/www.scientific.net/msf.255-257.52

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title = "Modeling positron-electron correlations in solids",

abstract = "Two new LDA parametrizations for positron-electron correlations are proposed on the basis of Quantum Monte Carlo results in an homogeneous 2-component jellium. They are tested towards Quantum Monte Carlo results in a simple inhomogeneous model before being applied to the study of positron trapping at As vacancies in GaAs. In both systems, one parametrization overestimates the positron localization whereas the other one underestimates it.",

keywords = "Defects in Semiconductors, First-Principles Molecular Dynamics and 2D-ACAR, Positron-Electron Correlations, Quantum Monte Carlo",

author = "L. Gilgien and R. Car and Ceperley, {D. M.}",

year = "1997",

doi = "10.4028/www.scientific.net/msf.255-257.52",

language = "English (US)",

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T1 - Modeling positron-electron correlations in solids

AU - Gilgien, L.

AU - Car, R.

AU - Ceperley, D. M.

PY - 1997

Y1 - 1997

N2 - Two new LDA parametrizations for positron-electron correlations are proposed on the basis of Quantum Monte Carlo results in an homogeneous 2-component jellium. They are tested towards Quantum Monte Carlo results in a simple inhomogeneous model before being applied to the study of positron trapping at As vacancies in GaAs. In both systems, one parametrization overestimates the positron localization whereas the other one underestimates it.

AB - Two new LDA parametrizations for positron-electron correlations are proposed on the basis of Quantum Monte Carlo results in an homogeneous 2-component jellium. They are tested towards Quantum Monte Carlo results in a simple inhomogeneous model before being applied to the study of positron trapping at As vacancies in GaAs. In both systems, one parametrization overestimates the positron localization whereas the other one underestimates it.

KW - Defects in Semiconductors

KW - First-Principles Molecular Dynamics and 2D-ACAR

KW - Positron-Electron Correlations

KW - Quantum Monte Carlo

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SP - 52

EP - 56

JO - Materials Science Forum

JF - Materials Science Forum

ER -

Modeling positron-electron correlations in solids

Abstract

All Science Journal Classification (ASJC) codes

Keywords

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