Structural and electronic properties of bulk GaP and AlP and their (GaP)(n)/(AlP)(n) superlattices
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F11%3A43882930" target="_blank" >RIV/60076658:12640/11:43882930 - isvavai.cz</a>
Výsledek na webu
<a href="http://dx.doi.org/10.1016/j.spmi.2010.11.012" target="_blank" >http://dx.doi.org/10.1016/j.spmi.2010.11.012</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.spmi.2010.11.012" target="_blank" >10.1016/j.spmi.2010.11.012</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Structural and electronic properties of bulk GaP and AlP and their (GaP)(n)/(AlP)(n) superlattices
Popis výsledku v původním jazyce
The structural and the electronic properties of binary GaP and AlP compounds and their (GaP)(n)/(AlP)(n) superlattices are investigated using the recent version of the first-principles full potential linear muffin-tin orbitals method (FP-LMTO) (Lmtart 7.0). The structural parameters and the pressures at which these compounds undergo structural phase transition from zinc-blende (B3) to the rocksalt (B1) are determined. From the results of the electronic properties we find that the parent materials (GaP,AlP) have indirect bandgaps. The resemblances between GaP and AlP and their small lattice mismatch led us to perform investigations on zinc-blende/zinc-blende (GaP)(n)/(AlP)(n) for n = 1, 2 and 3 monolayer. Our calculations performed for band structure and density of state show an indirect band gap superlattices for n = 1 and 2 and a direct band gap for n = 3. Details of the electronic structure of superlattices are discussed. An excellent agreement was found between our results and thos
Název v anglickém jazyce
Structural and electronic properties of bulk GaP and AlP and their (GaP)(n)/(AlP)(n) superlattices
Popis výsledku anglicky
The structural and the electronic properties of binary GaP and AlP compounds and their (GaP)(n)/(AlP)(n) superlattices are investigated using the recent version of the first-principles full potential linear muffin-tin orbitals method (FP-LMTO) (Lmtart 7.0). The structural parameters and the pressures at which these compounds undergo structural phase transition from zinc-blende (B3) to the rocksalt (B1) are determined. From the results of the electronic properties we find that the parent materials (GaP,AlP) have indirect bandgaps. The resemblances between GaP and AlP and their small lattice mismatch led us to perform investigations on zinc-blende/zinc-blende (GaP)(n)/(AlP)(n) for n = 1, 2 and 3 monolayer. Our calculations performed for band structure and density of state show an indirect band gap superlattices for n = 1 and 2 and a direct band gap for n = 3. Details of the electronic structure of superlattices are discussed. An excellent agreement was found between our results and thos
Klasifikace
Druh
J<sub>x</sub> - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
CEP obor
BO - Biofyzika
OECD FORD obor
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Návaznosti výsledku
Projekt
—
Návaznosti
V - Vyzkumna aktivita podporovana z jinych verejnych zdroju
Ostatní
Rok uplatnění
2011
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Superlattices and Microstructures
ISSN
0749-6036
e-ISSN
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Svazek periodika
49
Číslo periodika v rámci svazku
2
Stát vydavatele periodika
GB - Spojené království Velké Británie a Severního Irska
Počet stran výsledku
12
Strana od-do
132-143
Kód UT WoS článku
000288351500003
EID výsledku v databázi Scopus
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