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Direct Observation of Orbital Driven Strong Interlayer Coupling in Puckered Two-Dimensional PdSe2 SCIE SCOPUS

Title
Direct Observation of Orbital Driven Strong Interlayer Coupling in Puckered Two-Dimensional PdSe2
Authors
Ryu, Jung HyunKim, Jeong-GyuKim, BongjaeKim, KyooKim, SooranPark, Jae-HoonPark, Byeong-GyuKim, YounghakKo, Kyung-TaeLee, Kimoon
Date Issued
2022-01
Publisher
Wiley - V C H Verlag GmbbH & Co.
Abstract
© 2022 Wiley-VCH GmbHInterlayer coupling between individual unit layers is known to be critical in manipulating the layer-dependent properties of two-dimensional (2D) materials. While recent studies have revealed that several 2D materials with significant degrees of interlayer interaction (such as black phosphorus) show strongly layer-dependent properties, the origin based on the electronic structure is drawing intensive attention along with 2D materials exploration. Here, the direct observation of a highly dispersive single electronic band along the interlayer direction in puckered 2D PdSe2 as an experimental hallmark of strong interlayer couplings is reported. Remarkably large band dispersion along the kz-direction near Fermi level, which is even wider than the in-plane one, is observed by the angle-resolved photoemission spectroscopy measurement. Employing X-ray absorption spectroscopy and density functional theory calculations, it is revealed that the strong interlayer coupling in 2D PdSe2 originates from the unique directional bonding of Pd d orbitals associated with unexpected Pd 4d9 configuration, which consequently plays a decisive role for the strong layer-dependency of the band gap.
URI
https://oasis.postech.ac.kr/handle/2014.oak/109244
DOI
10.1002/smll.202106053
ISSN
1613-6810
Article Type
Article
Citation
Small, vol. 18, no. 9, 2022-01
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