Density-functional theory study of Au, Ag and Cu defects in germanium

A. Carvalho; J. Coutinho; R. Jones; E. Silva; S. Öberg; P.R. Briddon; Estelina Lora Da Silva

doi:10.1016/j.mssp.2008.10.007

Density-functional theory study of Au, Ag and Cu defects in germanium

A. Carvalho
, J. Coutinho
, R. Jones
, E. Silva
, S. Öberg
, P.R. Briddon
, Estelina Lora Da Silva

Department of Chemistry

Newcastle University
University of Exeter
Universidade de Aveiro
Luleå tekniska universitet

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

3 Citations (SciVal)

Abstract

Gold, silver and copper defects in germanium are modeled using density functional theory. The structures and electrical properties of the substitutional metals are calculated in excellent agreement with experiment. Interstitial Au, Ag and Cu are found to be shallow donors, in disagreement with a previous assignment of Cu to a hole trap in the lower half of the gap. Substitutional-interstitial metal (M - M) pairs and metal-vacancy pairs (M - V) are also investigated.

Original language	English
Pages (from-to)	340-343
Number of pages	4
Journal	Materials Science in Semiconductor Processing
Volume	11
Issue number	5-6
DOIs	https://doi.org/10.1016/j.mssp.2008.10.007
Publication status	Published - Oct 2008

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10.1016/j.mssp.2008.10.007

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title = "Density-functional theory study of Au, Ag and Cu defects in germanium",

abstract = "Gold, silver and copper defects in germanium are modeled using density functional theory. The structures and electrical properties of the substitutional metals are calculated in excellent agreement with experiment. Interstitial Au, Ag and Cu are found to be shallow donors, in disagreement with a previous assignment of Cu to a hole trap in the lower half of the gap. Substitutional-interstitial metal (M - M) pairs and metal-vacancy pairs (M - V) are also investigated. ",

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T1 - Density-functional theory study of Au, Ag and Cu defects in germanium

AU - Carvalho, A.

AU - Coutinho, J.

AU - Jones, R.

AU - Silva, E.

AU - Öberg, S.

AU - Briddon, P.R.

AU - Da Silva, Estelina Lora

PY - 2008/10

Y1 - 2008/10

N2 - Gold, silver and copper defects in germanium are modeled using density functional theory. The structures and electrical properties of the substitutional metals are calculated in excellent agreement with experiment. Interstitial Au, Ag and Cu are found to be shallow donors, in disagreement with a previous assignment of Cu to a hole trap in the lower half of the gap. Substitutional-interstitial metal (M - M) pairs and metal-vacancy pairs (M - V) are also investigated.

AB - Gold, silver and copper defects in germanium are modeled using density functional theory. The structures and electrical properties of the substitutional metals are calculated in excellent agreement with experiment. Interstitial Au, Ag and Cu are found to be shallow donors, in disagreement with a previous assignment of Cu to a hole trap in the lower half of the gap. Substitutional-interstitial metal (M - M) pairs and metal-vacancy pairs (M - V) are also investigated.

UR - https://www.scopus.com/pages/publications/70349784098

UR - http://dx.doi.org/10.1016/j.mssp.2008.10.007

U2 - 10.1016/j.mssp.2008.10.007

DO - 10.1016/j.mssp.2008.10.007

M3 - Article

AN - SCOPUS:70349784098

SN - 1369-8001

VL - 11

SP - 340

EP - 343

JO - Materials Science in Semiconductor Processing

JF - Materials Science in Semiconductor Processing

IS - 5-6

ER -

Density-functional theory study of Au, Ag and Cu defects in germanium

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