Publication

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

2008
Conference Papers

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 Cui to a hole trap in the lower half of the gap. Substitutional-interstitial metal (M-i-M-s) pairs and metal-vacancy pairs (MS-V) are also investigated. (C) 2008 Elsevier Ltd. All rights reserved.

Official source

Graph Chat

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

2008
Conference Papers

Abstract

Official source

Related concepts (25)

Density functional theory

Density-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.

Solid solution strengthening

In metallurgy, solid solution strengthening is a type of alloying that can be used to improve the strength of a pure metal. The technique works by adding atoms of one element (the alloying element) to the crystalline lattice of another element (the base metal), forming a solid solution. The local nonuniformity in the lattice due to the alloying element makes plastic deformation more difficult by impeding dislocation motion through stress fields. In contrast, alloying beyond the solubility limit can form a second phase, leading to strengthening via other mechanisms (e.

Alloy

An alloy is a mixture of chemical elements of which at least one is a metal. Unlike chemical compounds with metallic bases, an alloy will retain all the properties of a metal in the resulting material, such as electrical conductivity, ductility, opacity, and luster, but may have properties that differ from those of the pure metals, such as increased strength or hardness. In some cases, an alloy may reduce the overall cost of the material while preserving important properties.

Related publications (1)

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

Chat with Graph Search

The fabrication and properties of Nb3Sn superconductors by the internal tin process