Polymorph phosphor SrSi2O2N2:Eu2 optoelectronic properties for highly efficient LED: ab-initio calculations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F17%3A43950415" target="_blank" >RIV/49777513:23640/17:43950415 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.mtcomm.2017.10.003" target="_blank" >http://dx.doi.org/10.1016/j.mtcomm.2017.10.003</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.mtcomm.2017.10.003" target="_blank" >10.1016/j.mtcomm.2017.10.003</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Polymorph phosphor SrSi2O2N2:Eu2 optoelectronic properties for highly efficient LED: ab-initio calculations

Popis výsledku v původním jazyce

A doped europium polymorph based on phosphor with a structure of SrSi2O2N2 was investigated using the density functional theory as implemented in the full potential linear augmented plane wave method. The exchange correlation was described within the generalized gradient approximation added to the optimized effective Hubbard parameter. The optoelectronic properties were reported to explore the possibility to use SrSi2O2N2:Eu2+ for light-emitting diodes (LED) devices. The electronic band gap was reduced from the parent SrSi2O2N2, 6.646 eV to 4.66 eV when europium was incorporated and it is a direct band gap. The densities of states have shown the role of europium and its f-orbitals in tuning the band gap. Optical properties, such as optical reflectivity, refractive index and electron energy loss, were deduced from the dielectric function for radiation up to 15 eV. The present calculations suggest clearly that SrSi2O2N2:Eu2 is a promising compound for LEDs devices.

Název v anglickém jazyce

Polymorph phosphor SrSi2O2N2:Eu2 optoelectronic properties for highly efficient LED: ab-initio calculations

Popis výsledku anglicky

A doped europium polymorph based on phosphor with a structure of SrSi2O2N2 was investigated using the density functional theory as implemented in the full potential linear augmented plane wave method. The exchange correlation was described within the generalized gradient approximation added to the optimized effective Hubbard parameter. The optoelectronic properties were reported to explore the possibility to use SrSi2O2N2:Eu2+ for light-emitting diodes (LED) devices. The electronic band gap was reduced from the parent SrSi2O2N2, 6.646 eV to 4.66 eV when europium was incorporated and it is a direct band gap. The densities of states have shown the role of europium and its f-orbitals in tuning the band gap. Optical properties, such as optical reflectivity, refractive index and electron energy loss, were deduced from the dielectric function for radiation up to 15 eV. The present calculations suggest clearly that SrSi2O2N2:Eu2 is a promising compound for LEDs devices.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Projekt

—

Návaznosti

O - Projekt operacniho programu

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Materials Today Communications

ISSN

2352-4928

e-ISSN

—

Svazek periodika

13

Číslo periodika v rámci svazku

December 2017

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

6

Strana od-do

263-268

Kód UT WoS článku

000417445700030

EID výsledku v databázi Scopus

2-s2.0-85033600867