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Stabilization of semiconductor surface reconstructions by configurational entropy

SYSNO ASEP	0353804
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Stabilization of semiconductor surface reconstructions by configurational entropy
Author(s)	Romanyuk, Olexandr (FZU-D)_{RID, ORCID} Grosse, F. (DE) Proessdorf, A. (DE) Braun, W. (DE) Riechert, H. (DE)
Source Title	Physical Review. B - ISSN 1098-0121 Roč. 82, č. 12 (2010), 125315/1-125315/5
Number of pages	5 s.
Language	eng - English
Country	US - United States
Keywords	GaSb ; surface reconstruction ; DFT ; entropy
Subject RIV	BM - Solid Matter Physics ; Magnetism
R&D Projects	GA202/07/0601 GA ČR - Czech Science Foundation (CSF)
	GPP204/10/P028 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z10100521 - FZU-D (2005-2011)
UT WOS	000281845900006
DOI	10.1103/PhysRevB.82.125315
Annotation	Surface unit cells with a larger area and a reduced symmetry have a larger configurational entropy. The entropy may even stabilize reconstructions with higher energy at finite temperatures. We study the entropy contribution to surface reconstructions on the basis of ground-state calculations employing density-functional theory. Specifically, the ground-state GaSb(111)A surface reconstruction has a (2×2) symmetry, but at elevated temperatures, we experimentally observe the (2√3×2√3)-R30° symmetry in agreement with the theoretical results. The findings based on the general expressions are consistent with experimental data from other semiconductor surfaces.
Workplace	Institute of Physics
Contact	Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579
Year of Publishing	2011

Number of the records: 1