Electric ?eld gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F11%3A10108936" target="_blank" >RIV/00216208:11320/11:10108936 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1088/0953-8984/23/20/205503" target="_blank" >http://dx.doi.org/10.1088/0953-8984/23/20/205503</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/0953-8984/23/20/205503" target="_blank" >10.1088/0953-8984/23/20/205503</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Electric ?eld gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations

Popis výsledku v původním jazyce

Temperature dependence of nuclear magnetic resonance (NMR) spectra of 47Ti and 49Ti in polycrystalline ilmenite FeTiO3 was measured in the range from 5 to 300 K under an external magnetic ?eld of 9.401 T. NMR spectra collected between 300 and 77 K exhibit a resolved quadrupole splitting. The electric ?eld gradient (EFG) tensor was evaluated for Ti nuclei and the ratio of 47Ti and 49Ti nuclear quadrupole moments was re?ned during the ?tting procedure. Below 77 K, the fine structure of quadrupole splitting disappears due to the enormous increase of anisotropy. As a counterpart, ab initio calculations were performed using full potential augmented plane waves + local orbitals. The calculated EFG tensors for Ti and Fe were compared to the experimental onesevaluated from NMR and the Mossbauer spectroscopy experiments.

Název v anglickém jazyce

Electric ?eld gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations

Popis výsledku anglicky

Temperature dependence of nuclear magnetic resonance (NMR) spectra of 47Ti and 49Ti in polycrystalline ilmenite FeTiO3 was measured in the range from 5 to 300 K under an external magnetic ?eld of 9.401 T. NMR spectra collected between 300 and 77 K exhibit a resolved quadrupole splitting. The electric ?eld gradient (EFG) tensor was evaluated for Ti nuclei and the ratio of 47Ti and 49Ti nuclear quadrupole moments was re?ned during the ?tting procedure. Below 77 K, the fine structure of quadrupole splitting disappears due to the enormous increase of anisotropy. As a counterpart, ab initio calculations were performed using full potential augmented plane waves + local orbitals. The calculated EFG tensors for Ti and Fe were compared to the experimental onesevaluated from NMR and the Mossbauer spectroscopy experiments.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

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Projekt

—

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název periodika

Journal of Physics Condensed Matter

ISSN

0953-8984

e-ISSN

—

Svazek periodika

23

Číslo periodika v rámci svazku

20

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

5

Strana od-do

205503, 1-5

Kód UT WoS článku

000290212300014

EID výsledku v databázi Scopus

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