Published 2011 | Version v1
Journal article Metadata-only

Thermodynamic stability, stoichiometry and electronic structure of bcc-In2O3 surfaces

Creators

  • 1. TU Darmstadt, Petersenstr. 32, 64287 Darmstadt (Germany)

Description

The thermodynamic stability of all experimentally observed low index surfaces of bcc-indium oxide (In2O3) have been investigated by means of density functional theory calculations. The effect of a changing environment has been studies as well as the influence of hydrogen and water. It is found that the (001) surfaces have the most complex behavior. For this surface additionally the effects due to dopants (Sn) as well as the in-plane lattice strain has been studied. Finally, scanning tunneling microscopy images are presented and discussed in the light of previous experiments.

Additional details

Identifiers

URL
http://www.dpg-verhandlungen.de;

Publishing Information

Journal Title
Verhandlungen der Deutschen Physikalischen Gesellschaft
Journal Issue
Dresden 2011 issue
Series
Also available as printed version: Verhandlungen der Deutschen Physikalischen Gesellschaft v. 46(1)
Journal Page Range
[1 p.]
ISSN
0420-0195
CODEN
VDPEAZ

Conference

Title
75. Annual meeting of the DPG and combined DPG Spring meeting of the condensed matter section and the section AMOP with further DPG divisions environmental physics, history of physics, microprobes, radiation and medical physics, as well as the working groups energy, equal opportunities, industry and business, information, philosophy of physics, physics and disarmament, young DPG
Dates
13-18 Mar 2011
Place
Dresden (Germany)

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
43000140
Subject category
S36: MATERIALS SCIENCE;
Resource subtype / Literary indicator
Conference
Descriptors DEI
BCC LATTICES; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRONIC STRUCTURE; HYDROGEN; INDIUM OXIDES; SCANNING TUNNELING MICROSCOPY; STABILITY; STOICHIOMETRY; STRAINS; SURFACES; TIN ADDITIONS; WATER
Descriptors DEC
ALLOYS; CALCULATION METHODS; CHALCOGENIDES; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; ELEMENTS; HYDROGEN COMPOUNDS; INDIUM COMPOUNDS; MATERIALS; MICROSCOPY; NONMETALS; OXIDES; OXYGEN COMPOUNDS; TIN ALLOYS; VARIATIONAL METHODS

Optional Information

Notes
Session: O 30.4 Di 12:45; No further information available