Published January 2001 | Version v1
Journal article Metadata-only

On shape of absorption K-edge of iron in monoferrites with structure of spinel Me(Mg, Mn, Ni, Zn)Fe2O4

Creators

  • 1. Donskoj Gosudarstvennyj Tekhnicheskij Univ., Rostov-na-Donu (Russian Federation)

Description

The calculation of the XANES adsorption K-edge of iron in pure metal and in monoferrites of the MgFe2O4, MnFe2O4, NiFe2O4 and ZnFe2O4 stoichiometric composition is carried out through the FEFF8 program application. The change in the Fe K-edge energy position by transition from the pure iron to monoferrites revealed in the experiment is confirmed. It is shown that the direction of such a shift is similar in the ferrites with the normal spinel structure (MnFe2O4, ZnFe2O4) and the conversed spinel structure (MnFe2O4, NiFe2O4), however the numerical values of the Fe K-edges theoretical shifts agree well with the experimental ones only in the normal spinel

Abstract (Russian)

С использованием программы FEFF8 произведен расчет XANES K-краев поглощения железа в чистом металле и моноферритах стехиометрического состава MgFe2O4, MnFe2O4, NiFe2O4 и ZnFe2O4. Подтверждено изменение энергетического положения Fe K-краев при переходе от чистого железа к моноферритам, обнаруженное в эксперименте. Показано, что направление такого смещения одинаково в ферритах со структурой нормальной шпинели (MnFe2O4, ZnFe2O4) и обращенной шпинели (MnFe2O4, NiFe2O4), однако численные значения теоретических сдвигов Fe K-краев хорошо согласуются с экспериментальными только в нормальных шпинелях

Additional details

Additional titles

Original title (Russian)
О форме К-краев поглощения железа в моноферритах со структурой шпинели Ме(Мг, Мн, Ни, Зн)Фе

Publishing Information

Journal Title
Fizika Tverdogo Tela
Journal Volume
43
Journal Issue
1
Journal Page Range
p. 61-64
ISSN
0367-3294
CODEN
FTVTAC

INIS

Country of Publication
Russian Federation
Country of Input or Organization
Russian Federation
INIS RN
33009666
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
ABSORPTION SPECTRA; CLUSTER MODEL; COMPUTER CALCULATIONS; ELECTRONIC STRUCTURE; F CODES; FERRITES; IRON; IRON OXIDES; K ABSORPTION; MAGNESIUM COMPOUNDS; MANGANESE COMPOUNDS; NICKEL COMPOUNDS; SPECTRAL SHIFT; SPINELS; ZINC COMPOUNDS
Descriptors DEC
ABSORPTION; ALKALINE EARTH METAL COMPOUNDS; CHALCOGENIDES; COMPUTER CODES; ELEMENTS; FERRIMAGNETIC MATERIALS; IRON COMPOUNDS; MAGNETIC MATERIALS; MATERIALS; MATHEMATICAL MODELS; METALS; MINERALS; NUCLEAR MODELS; OXIDE MINERALS; OXIDES; OXYGEN COMPOUNDS; SORPTION; SPECTRA; TRANSITION ELEMENT COMPOUNDS; TRANSITION ELEMENTS

Optional Information

Notes
5 refs., 1 fig., 1 tab.