Elastic and optoelectronic properties of novel Ag3AuSe2 and Ag3AuTe2 semiconductors

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F16%3A43929057" target="_blank" >RIV/49777513:23640/16:43929057 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.mssp.2016.05.009" target="_blank" >http://dx.doi.org/10.1016/j.mssp.2016.05.009</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.mssp.2016.05.009" target="_blank" >10.1016/j.mssp.2016.05.009</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Elastic and optoelectronic properties of novel Ag3AuSe2 and Ag3AuTe2 semiconductors

Popis výsledku v původním jazyce

Ag3AuSe2 and Ag3AuTe2 are interesting class of semiconducting materials. Here, elastic and opto-electronic properties of Ag3AuSe2 and Ag3AuTe2 semiconductors are studied in detail using density functional theory. Different schemes are selected to treat the exchange-correlation effects. The unit cell of the compounds is fully optimized and calculated cell constants are found in agreement to the existing experimental data. The calculated elastic constants and elastic moduli reveal that the compounds possess ductile nature and are elastically stable. It is found that both compounds are direct band gap semi- conductor withbandgapvalueof1.009eVforAg3AuSe2 and 0.551eVforAg3AuTe2. As the, compounds have narrow and direct band gaps, therefore optically active. The optical properties like reflectivity, absorption coefficient, energy loss function, refractive index including and complex dielectric function are studied in detail. The direct band gap nature of these compounds make them useful candidate for different devices applications.

Název v anglickém jazyce

Elastic and optoelectronic properties of novel Ag3AuSe2 and Ag3AuTe2 semiconductors

Popis výsledku anglicky

Ag3AuSe2 and Ag3AuTe2 are interesting class of semiconducting materials. Here, elastic and opto-electronic properties of Ag3AuSe2 and Ag3AuTe2 semiconductors are studied in detail using density functional theory. Different schemes are selected to treat the exchange-correlation effects. The unit cell of the compounds is fully optimized and calculated cell constants are found in agreement to the existing experimental data. The calculated elastic constants and elastic moduli reveal that the compounds possess ductile nature and are elastically stable. It is found that both compounds are direct band gap semi- conductor withbandgapvalueof1.009eVforAg3AuSe2 and 0.551eVforAg3AuTe2. As the, compounds have narrow and direct band gaps, therefore optically active. The optical properties like reflectivity, absorption coefficient, energy loss function, refractive index including and complex dielectric function are studied in detail. The direct band gap nature of these compounds make them useful candidate for different devices applications.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

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

2016

Kód důvěrnosti údajů

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

Název periodika

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

ISSN

1369-8001

e-ISSN

—

Svazek periodika

52

Číslo periodika v rámci svazku

SEP 2016

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

8-15

Kód UT WoS článku

000386665000002

EID výsledku v databázi Scopus

2-s2.0-84969961866