Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary Arsenides ACdGeAs2 (A= K, Rb)

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43925972" target="_blank" >RIV/49777513:23640/15:43925972 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.materresbull.2015.05.044" target="_blank" >http://dx.doi.org/10.1016/j.materresbull.2015.05.044</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.materresbull.2015.05.044" target="_blank" >10.1016/j.materresbull.2015.05.044</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary Arsenides ACdGeAs2 (A= K, Rb)

Popis výsledku v původním jazyce

Chalcopyrite semiconductors have attracted much attention due to their potential implications in photovoltaic and thermoelectric applications. First principle calculations were performed to investigate the electronic, optical and thermoelectric properties of the Zintl tetragonal phase ACdGeAs2 (A = K, Rb) using the full potential linear augmented plane wave method and the Engle-Vosko GGA (EV-GGA) approximation. The present compounds are found semiconductors with direct band gap and covalent bonding character. The optical transitions are investigated via the dielectric function (real and imaginary parts) along with other related optical constants including refractive index, reflectivity and energy-loss spectrum. Combining results from DFT and Boltzmanntransport theory, we reported the thermoelectric properties such as the Seebeck's coefficient, electrical and thermal conductivity, figure of merit and power factor as function of temperatures. The present Chalcopyrite Zintl quaternary Ar

Název v anglickém jazyce

Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary Arsenides ACdGeAs2 (A= K, Rb)

Popis výsledku anglicky

Chalcopyrite semiconductors have attracted much attention due to their potential implications in photovoltaic and thermoelectric applications. First principle calculations were performed to investigate the electronic, optical and thermoelectric properties of the Zintl tetragonal phase ACdGeAs2 (A = K, Rb) using the full potential linear augmented plane wave method and the Engle-Vosko GGA (EV-GGA) approximation. The present compounds are found semiconductors with direct band gap and covalent bonding character. The optical transitions are investigated via the dielectric function (real and imaginary parts) along with other related optical constants including refractive index, reflectivity and energy-loss spectrum. Combining results from DFT and Boltzmanntransport theory, we reported the thermoelectric properties such as the Seebeck's coefficient, electrical and thermal conductivity, figure of merit and power factor as function of temperatures. The present Chalcopyrite Zintl quaternary Ar

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

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

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

Materials Research Buletin

ISSN

0025-5408

e-ISSN

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Svazek periodika

70

Číslo periodika v rámci svazku

říjen 2015

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

847-855

Kód UT WoS článku

000359873700129

EID výsledku v databázi Scopus

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