压力对ZnSeTe:T (Т=Cr, Mn, Fe)掺杂固溶体自旋极化电子结构的影响

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Molecular Crystals and Liquid Crystals Pub Date : 2023-08-23 DOI:10.1080/15421406.2023.2238995

S. Syrotyuk, O. Malyk, Y. Klysko

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The influence of pressure on the spin-polarized electronic structure of ZnSeTe:T (Т=Cr, Mn, Fe) doped solid solution

Abstract The electronic and magnetic properties of the solid solutions of ZnSeTe, in which the Zn atom is replaced by the transition 3d element Cr, Mn, or Fe, were calculated for 64-atom supercells. The shift of the Fermi level toward the valence band states due to pressure was revealed. It was established that at pressures p = 0 and p = 33 GPa, for both spin orientations, the ZnCrSeTe material is a semimetal, and the ZnMnSeTe material is a semiconductor. However, the ZnFeSeTe material is a semimetal at a pressure of p = 0 and a non-magnetic metal at a pressure of p = 33 GPa.

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来源期刊

Molecular Crystals and Liquid Crystals 化学-晶体学

CiteScore

1.20

自引率

14.30%

发文量

248

审稿时长

2 months

期刊介绍： Established in 1966, Molecular Crystals and Liquid Crystals is a world-leading journal publishing original research papers in both an experimental and theoretical nature in three areas of specialization: liquid crystals, molecular crystals, and low-dimensional solids. These cover, but are not limited to: Liquid Crystals: -Electro- and magneto-optical phenomena; thermodynamics; phase transitions; structure; NMR and orientation-controlled spectroscopy; theory. Molecular Crystals: -Spectroscopy; energy and charge transfer; solid state reactions; photo and radiation effects Low-dimensional Solids: -Structure, electronic, magnetic, and optical properties; transport mechanisms The journal publishes research papers, review papers, and book reviews. In all three areas, experimental manuscripts describing both preparation and properties will be considered. Papers that describe determination of crystal structure alone are not encouraged unless some solid state forces (hydrogen bonding, charge transfer, etc.) are playing a significant role and/or some solid state properties of the materials are measured.