Temperature-induced charge transfer in Fe-doped ZnSe single crystal: mechanism and features

We have collected the EPR spectra for Fe ions of zinc selenide single crystals in the temperature range from 5 to 300 K. The samples under test were grown by the Bridgman method and had a homogeneous structure of the ZnSe:Fe solid solution. Temperature-induced charge transfer from Fe 3+ into Fe 2+ o...

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Bibliographic Details
Published in:European physical journal plus 2022-09, Vol.137 (9), p.1018, Article 1018
Main Authors: Lamonova, K., Orel, S., Pashkevich, Yu, Bekirov, B., Hidulianov, M., Ivanchenko, I., Popenko, N., Kovalenko, N., Prokhorov, A., Hizhnyi, Yu, Nedilko, S., Klyui, N.
Format: Article
Language:English
Subjects:
Applied and Technical Physics
Atomic
Bridgman method
Charge transfer
Complex Systems
Condensed Matter Physics
Crystal defects
Crystal field theory
Crystal growth
Crystal structure
Crystals
Electrons
Empirical analysis
Ferric ions
Ferrous ions
Homogeneous structure
Ions
Magnetic fields
Mathematical and Computational Physics
Metals
Molecular
Optical and Plasma Physics
Physical properties
Physics
Physics and Astronomy
Plane waves
Regular Article
Scientific imaging
Single crystals
Solid solutions
Symmetry
Theoretical
Zinc
Zinc selenide
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Summary:We have collected the EPR spectra for Fe ions of zinc selenide single crystals in the temperature range from 5 to 300 K. The samples under test were grown by the Bridgman method and had a homogeneous structure of the ZnSe:Fe solid solution. Temperature-induced charge transfer from Fe 3+ into Fe 2+ on cooling is detected. The EPR spectrum formation mechanism is studied using a complex theoretical approach that combines the semi-empirical Modified Crystal Field Theory and structure optimizations using the DFT-based band-periodic plane-wave pseudopotential method. A theoretical model of the EPR spectrum formation due to two alternative paramagnetic sub-systems related to Fe 2+ and Fe 3+ ions is developed. The manifestation of structural defects occurring in the doping process in the EPR spectrum formation is analyzed. Graphical abstract
ISSN:2190-5444
2190-5444
DOI:10.1140/epjp/s13360-022-03237-x