Intrinsic defects as a source of n-type conductivity in CrSBr
Source abstract
Abstract
Understanding and controlling native defects is essential for unlocking the full potential of two-dimensional magnetic semiconductors. Here, angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations are used to explore the electronic properties of bulk CrSBr. ARPES measurements reveal clear signatures of conduction band filling in as-grown crystals, indicative of unintentional doping. An analysis of intrinsic defects based on density functional theory (DFT) identifies chromium interstitials (Cr i ) stabilized between CrSBr layers as the most favorable shallow donors. Bromine-on-sulfur antisites (Br S ) and bromine vacancies (V Br ) are also found to act as potential donors, albeit with deeper ionization energies. Our results shed light on the origin of unintentional n -type doping of CrSBr and pave the way for new strategies for defect control and electronic property tuning in this van der Waals magnet.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: 2D Materials and Applications · Iron-based superconductors research · Advanced Photocatalysis Techniques
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (40)
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