Hyperfine field and electronic structure of magnetite below the Verwey transition

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F15%3A10316936" target="_blank" >RIV/00216208:11320/15:10316936 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/15:00448218

Výsledek na webu

<a href="http://dx.doi.org/10.1103/PhysRevB.91.125134" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.91.125134</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.91.125134" target="_blank" >10.1103/PhysRevB.91.125134</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Hyperfine field and electronic structure of magnetite below the Verwey transition

Popis výsledku v původním jazyce

Magnetite represents a prototype compound with a mixed valence of iron cations. Its structure and electron ordering below the Verwey transition have been studied for decades. A recently published precise crystallographic structure [Senn et al., Nature (London) 481, 173 (2012)] accompanied by a suggestion of a "trimeron" model has given a new impulse to magnetite research. Here we investigate hyperfine field anisotropy in the Cc phase of magnetite by quantitative reanalysis of published measurements of the dependences of the Fe-57 nuclear magnetic resonance frequencies on the external magnetic field direction. Further, ab initio density-functional-theory-based calculations of hyperfine field depending on the magnetization direction using the recently reported crystal structure are carried out, and analogous hyperfine anisotropy data linked to particular crystallographic sites are determined. These two sets of data are compared, and mutually matching groups of the iron B sites in the 8:

Název v anglickém jazyce

Hyperfine field and electronic structure of magnetite below the Verwey transition

Popis výsledku anglicky

Magnetite represents a prototype compound with a mixed valence of iron cations. Its structure and electron ordering below the Verwey transition have been studied for decades. A recently published precise crystallographic structure [Senn et al., Nature (London) 481, 173 (2012)] accompanied by a suggestion of a "trimeron" model has given a new impulse to magnetite research. Here we investigate hyperfine field anisotropy in the Cc phase of magnetite by quantitative reanalysis of published measurements of the dependences of the Fe-57 nuclear magnetic resonance frequencies on the external magnetic field direction. Further, ab initio density-functional-theory-based calculations of hyperfine field depending on the magnetization direction using the recently reported crystal structure are carried out, and analogous hyperfine anisotropy data linked to particular crystallographic sites are determined. These two sets of data are compared, and mutually matching groups of the iron B sites in the 8:

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

S - Specificky vyzkum na vysokych skolach<br>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

Physical Review B - Condensed Matter and Materials Physics

ISSN

1098-0121

e-ISSN

—

Svazek periodika

91

Číslo periodika v rámci svazku

12

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

—

Kód UT WoS článku

000351509500002

EID výsledku v databázi Scopus

2-s2.0-84927145424