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

Kód výsledku v IS VaVaI

RIV/68378271:_____/09:00337230 - isvavai.cz

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2009

Kód důvěrnosti údajů

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

Název periodika

Physical Review. B

ISSN

1098-0121

e-ISSN

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Svazek periodika

79

Číslo periodika v rámci svazku

23

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

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Kód UT WoS článku

000267699500100

EID výsledku v databázi Scopus

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