- PII
- S30346215S0015323025070062-1
- DOI
- 10.7868/S3034621525070062
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 126 / Issue number 7
- Pages
- 788-793
- Abstract
- Calculations in the coherent potential approximation have confirmed modern concepts of various charge, spin, and magnetic states of impurity iron atoms replacing indium atoms in (InFe)O oxide with nonstoichiometric oxygen compositions (0 < δ < 0.09). The transition of impurity iron atoms from a paramagnetic to a ferromagnetic state is described. It was found that the transition occurs at different concentrations of oxygen vacancies for two crystallographically nonequivalent types of impurity iron atoms and is accompanied by a change in the charge state of the impurity.
- Keywords
- приближение когерентного потенциала электронная структура оксида индия (III) магнитные и зарядовые состояния примесных атомов железа
- Date of publication
- 23.08.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 53
References
- 1. Babu S.H., Kaleemulla S., Rao N.M., Krishnamoorthi C. Indium oxide: A transparent, conducting ferromagnetic semiconductor for spintronic applications // JMMM. 2016. V. 416. P. 66–74.
- 2. Guan L.X., Tao J.G., Xiao Z.R., Zhao B.C., Fan X.F., Huan C.H.A., Kuo J.L., Wang L. Roles of Cu codoping and oxygen vacancies on ferromagnetism in In2O3:Fe // Phys. Rev. B. 2009. V. 79. P. 184412.
- 3. Soven P. Coherent-potential model of substitutional disordered alloys // Phys. Rev. 1967. V. 156. P. 809–813.
- 4. Anisimov V.I., Poteryaev A.I., Korotin M.A., Anokhin A.O., Kotliar G. First-principles calculations of the electronic structure and spectra of strongly correlated systems: dynamical mean-field theory // J. Phys.: Condensed Matter. 1997. V. 9. P. 7359–7367.
- 5. Коротин М.А., Скориков Н.А., Зайнуллина В.М., Курмаев Э.З., Лукоянов А.В., Анисимов В.И. Электронная структура нестехиометрических соединений в приближении когерентного потенциала // Письма в ЖЭТФ. 2011. Т. 94. С. 884–889.
- 6. Коротин М.А., Скориков Н.А., Скорняков С.Л., Шориков А.О., Анисимов В.И. Учет эффектов самосогласования электронной плотности в рамках метода LDA+U+SO, реализованного в формализме температурных функций Грина в базисе функций Ванье // Письма в ЖЭТФ. 2014. Т. 100. С. 929–934.
- 7. Andersen O.K., Jepsen O. Explicit, first-principles tight-binding theory // Phys. Rev. Letters. 1984. V. 53. P. 2571–2574.
- 8. Pindor A.J., Staunton J., Stocks G.M., Winter H. Disordered local moment state of magnetic transition metals: a self-consistent KKR CPA calculation // J. Phys. F: Metal Phys. 1983. V. 13. P. 979–989.
- 9. Xu X.-H., Jiang F.-X., Zhang J., Fan X.-C., Wu H.-S., Gehring G.A. Magnetic and transport properties of n-type Fe-doped In2O3 ferromagnetic thin films // Appl. Phys. Letters. 2009. V. 94. P. 212510.
- 10. Krishna N.S., Kaleemulla S., Amarendra G., Rao N.M., Krishnamoorthi C., Kuppan M., Begam M.R., Reddy D.S., Omkaram I. Structural, optical, and magnetic properties of Fe doped In2O3 powders // Mater. Research Bulletin. 2015. V. 61. P. 486–491.
- 11. Levine Z.H., Allan D.C. Linear optical response in silicon and germanium including self-energy effects // Phys. Rev. Letters. 1989. V. 63. P. 1719–1722.
- 12. Anisimov V.I., Kondakov D.E., Kozhevnikov A.V., Nekrasov I.A., Pchelkina Z.V., Allen J.W., Mo S.-K., Kim H.-D., Metcalf P., Suga S., Sekiyama A., Keller G., Leonov I., Ren X., Vollhardt D. Full orbital calculation scheme for materials with strongly correlated electrons // Phys. Rev. B. 2005. V. 71. P. 125119.
- 13. Коротин М.А., Анохин А.О., Жидков И.С., Кухаренко А.И., Чолах С.О., Гаврилов Н.В., Брынзарь В.И., Курмаев Э.З. Магнитное состояние примесных ионов железа в In2O3 // Письма в ЖЭТФ. 2018. Т. 108. С. 568–573.
- 14. Yan S., Qiao W., Zhong W., Au C.-T., Dou Y. Effects of site occupancy and valence state of Fe ions on ferromagnetism in Fe-doped In2O3 diluted magnetic semiconductor // Appl. Phys. Letters. 2014. V. 104. P. 062404.
