Electronic structure of monolayer FeSe on Si(001) from first principles

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/00216208:11320/22:10443282

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Electronic structure of monolayer FeSe on Si(001) from first principles

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

Electronic structure of monolayer FeSe on Si(001) from first principles

Popis výsledku anglicky

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

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GA19-13659S" target="_blank" >GA19-13659S: Rozhraní mezi tenkovrstvými chalkogenidy s obsahem železa a izolanty: vliv na strukturu, magnetismus a nekonvenční supravodivost.</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Nanomaterials

ISSN

2079-4991

e-ISSN

2079-4991

Svazek periodika

12

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

9

Strana od-do

270

Kód UT WoS článku

000758810600001

EID výsledku v databázi Scopus

2-s2.0-85122856051