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

2025/08/11 by A. Królicka, Katarzyna Gas, Królicka, A. +35
Materials Science · Physics and Astronomy · #2D Materials and Applications #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor Quantum Structures and Devices #Topological Materials and Phenomena

paper · pdf · doi:10.48550/arxiv.2508.07911

openalex publication_date 2025/08/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/03

Abstract

Understanding the electronic structure of transition-metal dopants in IV-VI semiconductors is critical for tuning their band structure. We analyze properties of Cr dopant in Pb1-xSnxTe and PbSe by magnetic and transport measurements, which are interpreted based on density functional 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-prformance 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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