Electronic Structure of the Kitaev Material alpha-RuCl3 Probed byPhotoemission and Inverse Photoemission Spectroscopies

Collection with item attached
2016
Item details URL
http://open-repository.kisti.re.kr/cube/handle/open_repository/478181.do
DOI
10.1038/srep39544
Title
Electronic Structure of the Kitaev Material alpha-RuCl3 Probed byPhotoemission and Inverse Photoemission Spectroscopies
Description
The authors are grateful to L. J. Sandilands, C.H. Sohn, and S.-H. Baekfor invaluable discussions. This work was supported by IBS-R009-D1, byIBS-R009-G2, and by the National Research Foundation of Korea (NRF)grant (2012M2B2A4029470, 2014R1A1A1002868). B.H. Kim is supported by theRIKEN iTHES Project. Experiments at PLS-II were supported in part byMSIP and POSTECH.
abstract
Recently, alpha-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of alpha-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of alpha-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl63- cluster. The experimental data and calculations demonstrated that the 4d compound alpha-RuCl3 is a J(eff) = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in a-RuCl3.
provenance
Made available in Cube on 2018-09-28T12:26:03Z (GMT). No. of bitstreams: 0
language
English
author
Sinn, Soobin
Kim, Choong Hyun
Kim, Beom Hyun
Lee, Kyung Dong
Won, Choong Jae
Oh, Ji Seop
Han, Moonsup
Chang, Young Jun
Hur, Namjung
Sato, Hitoshi
Park, Byeong-Gyu
Kim, Changyoung
Kim, Hyeong-Do
Tae Won Noh
orcid
Oh, Ji Seop/0000-0002-6894-3983
accessioned
2018-09-28T12:26:03Z
available
2018-09-28T12:26:03Z
issued
2016
citation
SCIENTIFIC REPORTS(6)
issn
2045-2322
uri
http://open-repository.kisti.re.kr/cube/handle/open_repository/478181.do
Funder
미래창조과학부
Funding Program
기초과학연구원연구운영비지원
Project ID
1711045944
Jurisdiction
Rep.of Korea
Project Name
Studies on Correlated Electron Systems
rights
openAccess
type
article


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