Electronic and Magnetic Properties of the Solid Solution Cr: ZnSeTe with the Cationic Vacancy

Authors S.V. Syrotyuk , A.Y. Nakonechnyi, Yu.V. Klysko , Z.E. Veres, I.I. Lahun

Lviv Polytechnic National University, 79013 Lviv, Ukraine

Е-mail stepan.v.syrotiuk@lpnu.ua
Issue Volume 16, Year 2024, Number 1
Dates Received 18 January 2024; revised manuscript received 11 February 2024; published online 28 February 2024
Citation S.V. Syrotyuk, A.Y. Nakonechnyi, et al., J. Nano- Electron. Phys. 16 No 1, 01016 (2024)
DOI https://doi.org/10.21272/jnep.16(1).01016
PACS Number(s) 71.15.Mb, 71.20.Nr, 71.27. + a
Keywords ZnSeTe solid solution, Cr impurity, Cationic vacancy, Electronic energy bands, DOS (7) , Magnetic moment.

The focus of this study is the structural, electronic, and magnetic characteristics of the ZnSeTe solid solution with chromium impurity. The structure of this solid solution was determined in two steps. At the first stage the internal coordinates of atoms are optimized, and at the second one the lattice parameter relaxation, including re-optimization of internal coordinates, were done. Further, after the introduction of Cr substitution impurity, electronic energy spectra and densities of electronic states were calculated. Significant changes in parameters of the electronic structure and magnetic properties caused by cationic vacancy were revealed. It was found that the doped solid solution of Cr:ZnSeTe is a semiconductor for both electron spin polarizations. The study of the supercell with a cationic vacancy revealed significant differences in the parameters of electronic energy bands as well as magnetic properties, compared with those in crystal with no defects.

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