Charge transfer induced Lifshitz transition and magnetic symmetry breaking in ultrathin CrSBr crystals

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Charge transfer induced Lifshitz transition and magnetic symmetry breaking in ultrathin CrSBr crystals

Popis výsledku v původním jazyce

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&apos; 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.

Název v anglickém jazyce

Charge transfer induced Lifshitz transition and magnetic symmetry breaking in ultrathin CrSBr crystals

Popis výsledku anglicky

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&apos; 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.

Druh

J_SC - Článek v periodiku v databázi SCOPUS

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/LL2101" target="_blank" >LL2101: Příští Generace Monoelementárních 2D Materiálů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

PHYSICAL REVIEW B

ISSN

2469-9950

e-ISSN

2469-9969

Svazek periodika

108

Číslo periodika v rámci svazku

19

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

—

Kód UT WoS článku

—

EID výsledku v databázi Scopus

2-s2.0-85177092674