Electronic structure of monolayer FeSe on Si(001) from first principles
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00561977" target="_blank" >RIV/68378271:_____/22:00561977 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11320/22:10443282
Result on the web
<a href="https://hdl.handle.net/11104/0334410" target="_blank" >https://hdl.handle.net/11104/0334410</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/nano12020270" target="_blank" >10.3390/nano12020270</a>
Alternative languages
Result language
angličtina
Original language name
Electronic structure of monolayer FeSe on Si(001) from first principles
Original language description
The huge increase in the superconducting transition temperature of FeSe induced by an interface to SrTiO3 remains unexplained to date. However, there are numerous indications of the critical importance of specific features of the FeSe band topology in the vicinity of the Fermi surface. Here, we explore how the electronic structure of FeSe changes when located on another lattice matched substrate, namely a Si(001) surface, by first-principles calculations based on the density functional theory. We study non-magnetic (NM) and checkerboard anti-ferromagnetic (AFM) magnetic orders in FeSe and determine which interface arrangement is preferred. Our calculations reveal interesting effects of Si proximity on the FeSe band structure. Bands corresponding to hole pockets at the G point in NM FeSe are generally pushed down below the Fermi level, except for one band responsible for a small remaining hole pocket.n
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/GA19-13659S" target="_blank" >GA19-13659S: Interfaces between Fe-Chalcogenide thin films and insulators: impact on structure, magnetism, and unconventional superconductivity</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nanomaterials
ISSN
2079-4991
e-ISSN
2079-4991
Volume of the periodical
12
Issue of the periodical within the volume
2
Country of publishing house
CH - SWITZERLAND
Number of pages
9
Pages from-to
270
UT code for WoS article
000758810600001
EID of the result in the Scopus database
2-s2.0-85122856051