Stoichiometry and Bravais lattice diversity: an ab initio study of the GaSb(001) surface

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F09%3A00337230" target="_blank" >RIV/68378271:_____/09:00337230 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Stoichiometry and Bravais lattice diversity: an ab initio study of the GaSb(001) surface

Original language description

We study the family of GaSb(001)-(4x3) reconstructions by ab initio density-functional theory. For each possible surface stoichiometry between the well-known Sb-poor alpha(4x3) and Sb-rich beta(4x3) phases, we find thermodynamically stable reconstructions. Surface energies of (4x3) unit cells shifted relative to each other are computed for the thermodynamically stable phases. Especially, the energetic costs for unit-cell shifts along the [1-10] direction with the length of one in-plane surface lattice constant are very low. In a comparative study, we show that this is similar to the beta2(2x4) reconstructed GaAs(001) surface with a one-dimensional disorder along [1-10], but different from the c(4x4) reconstruction. The diversity in surface stoichiometry and unit-cell shape allows us to explain the contradicting experimental results obtained by scanning tunneling microscopy and surface-diffraction techniques at finite substrate temperatures.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

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Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Review. B

ISSN

1098-0121

e-ISSN

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Volume of the periodical

79

Issue of the periodical within the volume

23

Country of publishing house

US - UNITED STATES

Number of pages

6

Pages from-to

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UT code for WoS article

000267699500100

EID of the result in the Scopus database

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