Published January 30, 2015 | Version v1
Journal article Metadata-only

Research of vacancy defect formation on the surface of two-dimensional boron sheets

Creators

  • 1. Volgograd State University, 100 University Ave., Volgograd 400062 (Russian Federation)

Description

Mechanism of vacancy defect formation on the surface of two types of BS: triangular BS (TBS), α-sheet (αBS) have been calculated within the model of molecular cluster with the use of quantum chemical MNDO scheme. The process of atomic vacancy formation of BS has been modeled by step-by-step abstraction of one central boron atom. Incremental method allowed us to build energy curves for vacancy formation process. The process of vacancy migration on the BS surface has also have been investigated, and more probable paths of migration have been found

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-6596/586/1/012010

Additional details

Identifiers

DOI
10.1088/1742-6596/586/1/012010;

Publishing Information

Journal Title
Journal of Physics. Conference Series (Online)
Journal Volume
586
Journal Issue
1
Journal Page Range
[5 p.]
ISSN
1742-6596

Conference

Title
16. Russian Youth Conference on Physics of Semiconductors and Nanostructures, Opto- and Nanoelectronics
Dates
24-28 Nov 2014
Place
St Petersburg (Russian Federation)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
47029133
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ATOMS; BORON; CALCULATION METHODS; COMPUTERIZED SIMULATION; MOLECULAR CLUSTERS; SURFACES; TWO-DIMENSIONAL SYSTEMS; VACANCIES
Descriptors DEC
CRYSTAL DEFECTS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; ELEMENTS; POINT DEFECTS; SEMIMETALS; SIMULATION