[en] The structural and electronic properties of KTaO3/KZnF3 and KTaO3/KNiF3 oxyfluoride superlattices are studied from first-principles density functional theory calculations. We highlight, that beyond a critical layer thickness, these systems exhibit an insulator to metal transition that gives rise to the appearance of two- dimensional electron and hole gas, confined both, due the band alignment, within the oxide layer. The origin of the insulator to metal transition is related to the polar discontinuity at the interfaces. The behavior is discussed in terms of a simple electrostatic model and compared to that of the prototypical LaAlO3/SrTiO3 oxide system. The magnetic properties KTaO3/KNiF3 superlattices are further discussed, revealing a sizable Rashba-type spin splitting at these interfaces, much larger than in similar oxide/oxide systems.
Disciplines :
Physics
Author, co-author :
Garcia-Castro, A. C.; Universidad Industrial de Santander
Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Bousquet, Eric ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Romero, Aldo; West Virginia University
Language :
English
Title :
Oxyfluoride superlattices KTaO3/KMF3 (M=Zn, Ni): Structural and electronic phenomena
Publication date :
2020
Journal title :
Physical Review. B
ISSN :
2469-9950
eISSN :
2469-9969
Publisher :
American Physical Society
Volume :
102
Pages :
235140
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
CÉCI : Consortium des Équipements de Calcul Intensif Tier-1 supercomputer
Funders :
PRACE project TheDeNoMo and on the CECI facilities funded by F.R.S-FNRS (Grant No. 2.5020.1) and Tier-1 supercomputer of the Fédération Wallonie-Bruxelles funded by the Walloon Region (Grant No. 1117545) CÉCI - Consortium des Équipements de Calcul Intensif [BE] Tier-1
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