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    Cr resonant impurity for studies of band inversion and band offsets in IV-VI semiconductors

    A. Królicka1,*, K. Gas1,2,3, W. Dobrowolski1, H. Przybylińska1, Y. K. Edathumkandy1, J. Korczak1,4, E. Łusakowska1, R. Minikayev1, A. Reszka1 et al.

    R. Jakieła1, L. Kowalczyk1, A. Mirowska5, M. Gryglas-Borysiewicz6, J. Kossut1, M. Sawicki1, A. Łusakowski1, P. Bogusławski1, T. Story1,4, and K. Dybko1,4

    • *Contact author: krolicka@ifpan.edu.pl

    Phys. Rev. B 112, 235207 – Published 26 December, 2025

    DOI: https://doi.org/10.1103/k534-gc2n

    Abstract

    Understanding the electronic structure of transition-metal dopants in IV–VI semiconductors is critical for tuning their band structure. We analyze properties of the Cr dopant in Pb1−xSnxTe and PbSe by magnetic and transport measurements, which are interpreted based on density functional theory calculations. We demonstrate that the pinning of the Fermi energy to the chromium resonant level occurs for both n-type and p-type Pb1−xSnxTe in the whole composition range. This enables us to determine the valence band and conduction band offsets at the PbTe/SnTe/PbSe heterointerfaces, which is important for designing high-performance 2D transistors. Furthermore, the magnetic measurements reveal the presence of Cr ions in three charge states, Cr3+, Cr2+, and Cr1+. The last one corresponds to the Cr dopants incorporated at the interstitial, and not the substitutional, sites. The measured concentrations of the interstitial and substitutional Cr are comparable.

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