Tailoring the electronic structure and optical properties of cadmium-doped zinc oxides nanosheet

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F17%3A43963015" target="_blank" >RIV/49777513:23640/17:43963015 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.tandfonline.com/doi/full/10.1080/23311940.2017.1391734" target="_blank" >https://www.tandfonline.com/doi/full/10.1080/23311940.2017.1391734</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/23311940.2017.1391734" target="_blank" >10.1080/23311940.2017.1391734</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Tailoring the electronic structure and optical properties of cadmium-doped zinc oxides nanosheet

Popis výsledku v původním jazyce

Cd-doped ZnO nanosheet (ZnO NS) were investigated using a full-potential linearized augmented plane wave method within the generalized gradient approximation (GGA) to calculate the electronic structure and its optical response. The calculated band structures have shown that the Cd-doped ZnO NS is a direct band gap semiconductor at Γ with 1.50 eV band gap. The contribution of each atom/orbital were commented in light of total and partial densities of states. We also derived the optical constants (mainly the dielectric constants ε1(0) and ε2(0)), the absorption coefcient I(ω), refractive index n(ω), extinction coefcient k(ω), and energy-loss function L(ω). The spectrum of absorption coefcient has revealed to increase rapidly for photon energies higher than 2.5 eV. The absorption spectrum was found to be limited in energy region due to different contributions electronic transitions that occurred within ZnO NS and effect of Cd doping. Reducing the band gap of ZnO NS to low values is suitable process for light-emitting devices and solar cells applications.

Název v anglickém jazyce

Tailoring the electronic structure and optical properties of cadmium-doped zinc oxides nanosheet

Popis výsledku anglicky

Cd-doped ZnO nanosheet (ZnO NS) were investigated using a full-potential linearized augmented plane wave method within the generalized gradient approximation (GGA) to calculate the electronic structure and its optical response. The calculated band structures have shown that the Cd-doped ZnO NS is a direct band gap semiconductor at Γ with 1.50 eV band gap. The contribution of each atom/orbital were commented in light of total and partial densities of states. We also derived the optical constants (mainly the dielectric constants ε1(0) and ε2(0)), the absorption coefcient I(ω), refractive index n(ω), extinction coefcient k(ω), and energy-loss function L(ω). The spectrum of absorption coefcient has revealed to increase rapidly for photon energies higher than 2.5 eV. The absorption spectrum was found to be limited in energy region due to different contributions electronic transitions that occurred within ZnO NS and effect of Cd doping. Reducing the band gap of ZnO NS to low values is suitable process for light-emitting devices and solar cells 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

<a href="/cs/project/EF15_003%2F0000358" target="_blank" >EF15_003/0000358: Výpočetní a experimentální design pokročilých materiálů s novými funkcionalitami</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Cogent Physics

ISSN

2331-1940

e-ISSN

—

Svazek periodika

4

Číslo periodika v rámci svazku

OCT 27 2017

Stát vydavatele periodika

NO - Norské království

Počet stran výsledku

12

Strana od-do

—

Kód UT WoS článku

000416690500001

EID výsledku v databázi Scopus

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