Towards from indirect to direct band gap and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn)

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43921996" target="_blank" >RIV/49777513:23640/14:43921996 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.physb.2014.02.021" target="_blank" >http://dx.doi.org/10.1016/j.physb.2014.02.021</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.physb.2014.02.021" target="_blank" >10.1016/j.physb.2014.02.021</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Towards from indirect to direct band gap and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn)

Popis výsledku v původním jazyce

First principle calculations are performed to predict the electronic and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn) compounds. The calculations show an excellent agreement with the available experimental results as compared to previous calculations. The band gap value decreases by changing the cations X from Zn to Cd as well as Y from Si to Ge to Sn in XYP2. The d-states of the Zn and Cd contribute majorly in the density of states. Bonding nature in these compounds is analyzed from the electrondensity plots. Optical response of these compounds is noted from the complex refractive index and reflectivity spectra. The wide direct band gap and the high reflectivity in the visible and ultraviolet regions for these compounds make them potential candidates for optoelectronic and photonic applications.

Název v anglickém jazyce

Towards from indirect to direct band gap and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn)

Popis výsledku anglicky

First principle calculations are performed to predict the electronic and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn) compounds. The calculations show an excellent agreement with the available experimental results as compared to previous calculations. The band gap value decreases by changing the cations X from Zn to Cd as well as Y from Si to Ge to Sn in XYP2. The d-states of the Zn and Cd contribute majorly in the density of states. Bonding nature in these compounds is analyzed from the electrondensity plots. Optical response of these compounds is noted from the complex refractive index and reflectivity spectra. The wide direct band gap and the high reflectivity in the visible and ultraviolet regions for these compounds make them potential candidates for optoelectronic and photonic applications.

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

2014

Kód důvěrnosti údajů

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

Název periodika

Physica B

ISSN

0921-4526

e-ISSN

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Svazek periodika

441

Číslo periodika v rámci svazku

15.05.2014

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

94-99

Kód UT WoS článku

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EID výsledku v databázi Scopus

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