@article{f66acb16fe204d7a9de115b853d777b5,
title = "Bulk and surface electronic structure of MnPSe3 revealed by photoemission and X-ray absorption spectroscopy",
abstract = "Bulk and surface electronic states of MnPSe3 have been investigated by means of X-ray photoemission spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and theoretical calculations. In Mn 2p XPS, the main peak is accompanied by a charge-transfer satellite which is commonly observed in various Mn chalcogenides. The intensity of the charge-transfer satellite is considerably reduced by oxidization of the surface. The multiplet structure of Mn 2p XAS indicates the high spin Mn2+ configuration. The cluster model analyses of the XPS and XAS spectra indicate that the Se 4p-to-Mn 3d charge-transfer energy Δ is negative providing the strong p-d hybridization. The magnetic interaction between the third nearest neighboring Mn spins is enhanced by the smallness of Δ and the unique molecular orbitals of the P2Se6 cluster.",
author = "Masato Fujii and Tomoyuki Yamaguchi and Takuo Ohkochi and Chandan De and Cheong, {Sang Wook} and Takashi Mizokawa",
note = "Funding Information: C.D. was supported by the Institute for Basic Science (IBS) through the Center for Artificial Low Dimensional Electronic Systems (Grant No. IBS-R014-D1). S.-W.C. was supported by the Center for Quantum Materials Synthesis (cQMS), funded by the Gordon and Betty Moore Foundation's EPiQS initiative through Grant No. GBMF10104, and by Rutgers University. T.M. was supported by KAKENHI from JSPS (Grants No. JP19H01853 and No. JP19H00659). The synchrotron radiation experiment was performed at BL17SU with the approval of SPring-8 (2020A1148). Publisher Copyright: {\textcopyright} 2022 American Physical Society.",
year = "2022",
month = jul,
day = "15",
doi = "10.1103/PhysRevB.106.035118",
language = "English",
volume = "106",
journal = "Physical Review B",
issn = "2469-9950",
publisher = "American Physical Society",
number = "3",
}