Optoelectronic and Magnetic Properties of Eu2Si5N8: An Ab-initio Study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43928068" target="_blank" >RIV/49777513:23640/15:43928068 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1515/zna-2015-0187" target="_blank" >http://dx.doi.org/10.1515/zna-2015-0187</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1515/zna-2015-0187" target="_blank" >10.1515/zna-2015-0187</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Optoelectronic and Magnetic Properties of Eu2Si5N8: An Ab-initio Study

Popis výsledku v původním jazyce

Eu2Si5N8 is considered the most important compound in the development of inorganic materials with high potential and performance. Therefore, the electronic, magnetic and optical properties of Eu2Si5N8 are investigated here using density functional theory. The electronic interactions are described within the generalised gradient approximation, GGA+U (where U is the Hubbard Coulomb energy term). The calculated energy gap was 3.5 eV for the investigated compound, resulting in a direct band gap semiconductor. The optical constants, including the dielectric function, refractive index, absorption coefficient, reflectivity, and energy loss function were calculated for radiation up to 14 eV. The optical properties demonstrate that the main differences in absorption, reflectivity, energy-loss function and refractive index occur in the infrared and visible regions for the spin-up and spin-down states, which makes this material an excellent candidate for optical memory devices.

Název v anglickém jazyce

Optoelectronic and Magnetic Properties of Eu2Si5N8: An Ab-initio Study

Popis výsledku anglicky

Eu2Si5N8 is considered the most important compound in the development of inorganic materials with high potential and performance. Therefore, the electronic, magnetic and optical properties of Eu2Si5N8 are investigated here using density functional theory. The electronic interactions are described within the generalised gradient approximation, GGA+U (where U is the Hubbard Coulomb energy term). The calculated energy gap was 3.5 eV for the investigated compound, resulting in a direct band gap semiconductor. The optical constants, including the dielectric function, refractive index, absorption coefficient, reflectivity, and energy loss function were calculated for radiation up to 14 eV. The optical properties demonstrate that the main differences in absorption, reflectivity, energy-loss function and refractive index occur in the infrared and visible regions for the spin-up and spin-down states, which makes this material an excellent candidate for optical memory devices.

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

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

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

Název periodika

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES

ISSN

0932-0784

e-ISSN

—

Svazek periodika

70

Číslo periodika v rámci svazku

11

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

8

Strana od-do

897-904

Kód UT WoS článku

000363478800003

EID výsledku v databázi Scopus

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