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13 May 2024 |
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Article overview
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Defect-controlled Fermi-level tuning in half-Heusler topological semimetals | | Shoaib Khalid
; Hadass S. Inbar
; Shouvik Chatterjee
; Christopher J. Palmstrom
; Anderson Janotti
; | | Date: |
10 Aug 2022 | | Abstract: | Three-dimensional topological semimetals host a range of interesting quantum
phenomena related to band crossing and band touching that give rise to Dirac or
Weyl fermions, and could be engineered into novel technological applications.
Harvesting the full potential of these materials in applications will depend on
our ability to position the Fermi level near the symmetry-protected band
crossings or touchings so that exotic spin and charge transport properties are
manifest. Using first-principles calculations based on density functional
theory, we investigate how point defects impact the Fermi level position in two
representative half-Heusler topological semimetals, PtLuSb and PtLuBi; we
explore how intrinsic defects can be used to tune the Fermi level, and explain
recent observations based on Hall measurements in bulk and thin films. Under
typical growth conditions, we show that Pt vacancies are the most abundant
intrinsic defects, leading to excess hole densities that place the Fermi level
significantly below the expected position in the pristine material. Suggestions
for tuning the Fermi level by tuning chemical potentials are discussed. | | Source: | arXiv, 2208.05415 | | Services: | Forum | Review | PDF | Favorites | |
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