Charge transfer induced Lifshitz transition and magnetic symmetry breaking in ultrathin CrSBr crystals
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F23%3A43927571" target="_blank" >RIV/60461373:22310/23:43927571 - isvavai.cz</a>
Result on the web
<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.108.195410" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.108.195410</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.108.195410" target="_blank" >10.1103/PhysRevB.108.195410</a>
Alternative languages
Result language
angličtina
Original language name
Charge transfer induced Lifshitz transition and magnetic symmetry breaking in ultrathin CrSBr crystals
Original language description
Ultrathin CrSBr flakes are exfoliated in situ on Au(111) and Ag(111) and their electronic structure is studied by angle-resolved photoemission spectroscopy. The thin flakes' electronic properties are drastically different from those of the bulk material and also substrate dependent. For both substrates, a strong charge transfer to the flakes is observed, partly populating the conduction band and giving rise to a highly anisotropic Fermi contour with an Ohmic contact to the substrate. The fundamental CrSBr band gap is strongly renormalized compared to the bulk. The charge transfer to the CrSBr flake is substantially larger for Ag(111) than for Au(111), but a rigid energy shift of the chemical potential is insufficient to describe the observed band structure modifications. In particular, the Fermi contour shows a Lifshitz transition, the fundamental band gap undergoes a transition from direct on Au(111) to indirect on Ag(111) and a doping-induced symmetry breaking between the intralayer Cr magnetic moments further modifies the band structure. Electronic structure calculations can account for nonrigid Lifshitz-type band structure changes in thin CrSBr as a function of doping and strain. In contrast to undoped bulk band structure calculations that require self-consistent GW theory, the doped thin film properties are well approximated by density functional theory if local Coulomb interactions are taken into account on the mean-field level and the charge transfer is considered.
Czech name
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Czech description
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Classification
Type
J<sub>SC</sub> - Article in a specialist periodical, which is included in the SCOPUS database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
<a href="/en/project/LL2101" target="_blank" >LL2101: Next Generation of 2D Monoelemental Materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
PHYSICAL REVIEW B
ISSN
2469-9950
e-ISSN
2469-9969
Volume of the periodical
108
Issue of the periodical within the volume
19
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
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UT code for WoS article
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EID of the result in the Scopus database
2-s2.0-85177092674