EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F11%3A43882932" target="_blank" >RIV/60076658:12640/11:43882932 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1002/pssb.200945463" target="_blank" >http://dx.doi.org/10.1002/pssb.200945463</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/pssb.200945463" target="_blank" >10.1002/pssb.200945463</a>

Jazyk výsledku

angličtina

Název v původním jazyce

EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite

Popis výsledku v původním jazyce

We report results of first-principles density functional calculations using the full-potential linearized augmented plane wave method. The generalized gradient approximation (GGA) and the Engel-Vosko-GGA (EV-GGA) formalism were used for the exchange-correlation energy to calculate the structural, electronic, linear, and nonlinear optical properties of the chalcopyrite ZnCdTe(2) compound. The valence band maximum and the conduction band minimum are located at the G-point, resulting in a direct band gap of about 0.71 eV for GGA and 1.29 eV for EV-GGA. The results of bulk properties, such as lattice parameters (a, c, and u), bulk modulus B, and its pressure derivative B' are evaluated. The optical properties of this compound, namely the real and the imaginary parts of the dielectric function, reflectivity, and refractive index, show a considerable anisotropy as a consequence ZnCdTe(2) posseses a strong birefringence. In addition, the extinction coefficient, the electron energy loss functi

Název v anglickém jazyce

EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite

Popis výsledku anglicky

We report results of first-principles density functional calculations using the full-potential linearized augmented plane wave method. The generalized gradient approximation (GGA) and the Engel-Vosko-GGA (EV-GGA) formalism were used for the exchange-correlation energy to calculate the structural, electronic, linear, and nonlinear optical properties of the chalcopyrite ZnCdTe(2) compound. The valence band maximum and the conduction band minimum are located at the G-point, resulting in a direct band gap of about 0.71 eV for GGA and 1.29 eV for EV-GGA. The results of bulk properties, such as lattice parameters (a, c, and u), bulk modulus B, and its pressure derivative B' are evaluated. The optical properties of this compound, namely the real and the imaginary parts of the dielectric function, reflectivity, and refractive index, show a considerable anisotropy as a consequence ZnCdTe(2) posseses a strong birefringence. In addition, the extinction coefficient, the electron energy loss functi

Druh

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

CEP obor

BO - Biofyzika

OECD FORD obor

—

Projekt

<a href="/cs/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: Jihočeské výzkumné centrum akvakultury a biodiverzity hydrocenóz</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název periodika

Physica Status Solidi B - Basic Research

ISSN

0370-1972

e-ISSN

—

Svazek periodika

248

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

7

Strana od-do

712-718

Kód UT WoS článku

000288089900030

EID výsledku v databázi Scopus

—