Defects and charge compensation in CdSiO3: A DFT and synchrotron study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F13%3A00421164" target="_blank" >RIV/68378271:_____/13:00421164 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.phpro.2013.04.001" target="_blank" >http://dx.doi.org/10.1016/j.phpro.2013.04.001</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.phpro.2013.04.001" target="_blank" >10.1016/j.phpro.2013.04.001</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Defects and charge compensation in CdSiO3: A DFT and synchrotron study

Popis výsledku v původním jazyce

The charge compensation effects induced by aliovalent doping were studied in the monoclinic CdSiO3. An interstitial oxide ion may be feasible in this host to provide the extra negative charge required by the R3+ doping. The oxide was studied in CdSiO3using density functional theory (DFT) calculations and synchrotron radiation (SR) luminescence spectroscopy. The crystal structure of this host was significantly modified by the interstitial oxide. The experimental band gap energy(Eg)was perfectly reproduced by the calculations and intrinsic electron traps were revealed. Defect levels were found also in the interstitial oxide containing host, however their role has to be studied further.

Název v anglickém jazyce

Defects and charge compensation in CdSiO3: A DFT and synchrotron study

Popis výsledku anglicky

The charge compensation effects induced by aliovalent doping were studied in the monoclinic CdSiO3. An interstitial oxide ion may be feasible in this host to provide the extra negative charge required by the R3+ doping. The oxide was studied in CdSiO3using density functional theory (DFT) calculations and synchrotron radiation (SR) luminescence spectroscopy. The crystal structure of this host was significantly modified by the interstitial oxide. The experimental band gap energy(Eg)was perfectly reproduced by the calculations and intrinsic electron traps were revealed. Defect levels were found also in the interstitial oxide containing host, however their role has to be studied further.

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

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2013

Kód důvěrnosti údajů

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

Název periodika

Physics Procedia

ISSN

1875-3892

e-ISSN

—

Svazek periodika

44

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

1-9

Kód UT WoS článku

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EID výsledku v databázi Scopus

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