Core level photoemission study of honeycomb lattice Li2RuO3

Bansal, Sakshi; Ali, Asif; Reddy, B. H.; Singh, R. S.

doi:10.1063/5.0016739

Cited by 1 publication

(2 citation statements)

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“…The core level spectra exhibit spin-orbit split peaks at 282.2 eV and 286.3 eV corresponding to Ru 3d 5/2 and Ru 3d 3/2 with the spin-orbit splitting of about 4.1 eV. Absence of any signal at ∼280 eV binding energy in the present case of in situ fractured sample confirms the high quality sample (with least disorder/lithium deficiency) [44]. For reference, we also show the Ru 3d core level spectra for RuO 2 and Y 2 Ru 2 O 7 .…”

Section: Resultssupporting

confidence: 66%

“…The spectral DOS can be obtained by dividing photoemission spectra with Fermi Dirac distribution function since the hole and electron lifetime broadening around Fermi level and energy broadening due to high resolution can be neglected. Thus obtained spectral DOS corresponding to He I spectra has been shown in figure 3 It is to note here that lithium deficiency in Li 2 RuO 3 (hole doping) would lead to larger DOS at E F , which is reflected as well-screened feature in the Ru 3d core level spectra [44]. Increased DOS at E F is also observed in specific heat measurements for highly disordered Li 2 RuO 3 [39].…”

Section: Resultssupporting

confidence: 54%

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Revelation of Mott insulating state in layered honeycomb lattice Li₂RuO₃

Bansal¹,

Ali²,

Reddy³

et al. 2021

J. Phys.: Condens. Matter

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We investigate the role of electron correlation in the electronic structure of honeycomb lattice Li2RuO3 using photoemission spectroscopy and band structure calculations. Monoclinic Li2RuO3 having Ru network as honeycomb lattice undergoes magneto-structural transition at T c ∼ 540 K from high temperature phase C2/m to low temperature dimerized phase P21/m. Room temperature valence band photoemission spectra reveal an insulating ground state with no intensity at Fermi level (E F). Ru 4d band extracted from high and low photon energy valence band photoemission spectra reveal that the surface and bulk electronic structures are very similar in this system. Band structure calculations using generalized gradient approximation leads to metallic ground state while screened hybrid (YS-PBE0) functional reveals opening up of a gap in almost degenerate d zx /d yz orbitals, whereas d xy orbital is already gapped. Ru 3d core level spectra with prominent unscreened feature provides direct evidence of strong electron correlation among Ru 4d electrons which is also manifested by |E − E F|2 dependence of spectral density of states in the vicinity of E F in the high-resolution spectra, establishing Li2RuO3 as Mott insulator.

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Section: Resultssupporting

confidence: 66%

Section: Resultssupporting

confidence: 54%