Theoretical investigation of electronic structure and optical response in relation to the transport properties of Ga1xInxN (x 1/4 0, 0.25, 0.50, 0.75)

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43925975" target="_blank" >RIV/49777513:23640/15:43925975 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.cap.2015.02.014" target="_blank" >http://dx.doi.org/10.1016/j.cap.2015.02.014</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.cap.2015.02.014" target="_blank" >10.1016/j.cap.2015.02.014</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Theoretical investigation of electronic structure and optical response in relation to the transport properties of Ga1xInxN (x 1/4 0, 0.25, 0.50, 0.75)

Popis výsledku v původním jazyce

The state-of-the-art all-electron FLPAW method and the BoltzTrap software package based on semiclassical theory were adopted to explore the electronic structure and the optical and thermoelectric properties of Ga1 xInxN. Ga1 xInxN is predicted to be a direct band gap material for all values of x. Moreover, the band gap varies between 2.99 eV and 1.95 eV as x changes. Optical parameters such as the dielectric constant,absorption coefficient, reflectivity and refractive index are calculated and discussedin detail. The doping of In plays an important role in the modulation of the optical constants. The static dielectric constant 3 (0) of Ga1 xInxN was calculated as 3.95, 3.99, 3.99 and 4.03 at x= 0.00, 0.25, 0.50 and 0.75, respectively. The static refractive index is 2.0 for pure Ga1-xInxN at x =0.00. The thermal properties varied greatly as x fluctuated. The ternary alloy has large values for the Seebeck coefficient and figure of merit at high temperatures and is thus suitable for therm

Název v anglickém jazyce

Theoretical investigation of electronic structure and optical response in relation to the transport properties of Ga1xInxN (x 1/4 0, 0.25, 0.50, 0.75)

Popis výsledku anglicky

The state-of-the-art all-electron FLPAW method and the BoltzTrap software package based on semiclassical theory were adopted to explore the electronic structure and the optical and thermoelectric properties of Ga1 xInxN. Ga1 xInxN is predicted to be a direct band gap material for all values of x. Moreover, the band gap varies between 2.99 eV and 1.95 eV as x changes. Optical parameters such as the dielectric constant,absorption coefficient, reflectivity and refractive index are calculated and discussedin detail. The doping of In plays an important role in the modulation of the optical constants. The static dielectric constant 3 (0) of Ga1 xInxN was calculated as 3.95, 3.99, 3.99 and 4.03 at x= 0.00, 0.25, 0.50 and 0.75, respectively. The static refractive index is 2.0 for pure Ga1-xInxN at x =0.00. The thermal properties varied greatly as x fluctuated. The ternary alloy has large values for the Seebeck coefficient and figure of merit at high temperatures and is thus suitable for therm

Druh

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

CEP obor

BE - Teoretická fyzika

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centrum nových technologií a materiálů (CENTEM)</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2015

Kód důvěrnosti údajů

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

Název periodika

Current Applied Physics

ISSN

1567-1739

e-ISSN

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Svazek periodika

15

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

608-616

Kód UT WoS článku

000352280000008

EID výsledku v databázi Scopus

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