Structural and electronic properties of bulk GaP and AlP and their (GaP)(n)/(AlP)(n) superlattices

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>

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

Druh

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

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

—

Návaznosti

V - Vyzkumna aktivita podporovana z jinych verejnych zdroju

Rok uplatnění

2011

Kód důvěrnosti údajů

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

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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