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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/13419
Title: Electronic structure of Pr2MnNiO6 from x-ray photoemission, absorption and density functional theory
Authors: Balasubramanian P.
Joshi S.R.
Yadav R.
De Groot F.M.F.
Singh A.K.
Ray A.
Gupta M.
Singh A.
Maurya S.
Elizabeth S.
Varma S.
Maitra T.
Malik V.
Published in: Journal of Physics Condensed Matter
Abstract: The electronic structure of double perovskite Pr2MnNiO6 was studied using core x-ray photoelectron spectroscopy and x-ray absorption spectroscopy. The 2p x-ray absorption spectra show that Mn and Ni are in 4+ and 2+ states respectively. Based on charge transfer multiplet analysis of the 2p XPS spectra of both ions, we find charge transfer energies of 3.5 and 2.5 eV for Ni and Mn respectively. The ground state of Ni2+ and Mn4+ ions reveal a higher d electron count of 8.21 and 3.38 respectively as compared to the ionic values. The partial density of states clearly show a charge transfer character of the system for U - J 2 eV. The O 1s edge absorption spectra reveal a band gap of 0.9 eV, which is close to the value estimated from analysis of Ni and Mn 2p photoemission and absorption spectra. The combined analysis of nature of spectroscopic data and first principles calculations reveal that the material is a p - d type charge transfer insulator with an intermediate covalent character according to the Zannen-Sawatzy-Allen phase diagram. © 2018 IOP Publishing Ltd.
Citation: Journal of Physics Condensed Matter (2018), 30(43): -
URI: https://doi.org/10.1088/1361-648X/aae168
http://repository.iitr.ac.in/handle/123456789/13419
Issue Date: 2018
Publisher: Institute of Physics Publishing
Keywords: density of states
double perovskites
ferromagnetism
x-ray absorption spectroscopy
x-ray photoelectron spectroscopy
ISSN: 9538984
Author Scopus IDs: 57196702418
55534319600
55864340800
7004798376
56130494500
57213109680
57203756623
57212846130
57204141280
6701567142
56238674600
7004183343
24758795000
Author Affiliations: Balasubramanian, P., Department of Physics, Indian Institute of Technology, Roorkee, Uttarakhand, 247667, India, Institute of Physics, Bhubaneshwar, 750012, India
Joshi, S.R., Institute of Physics, Bhubaneshwar, 750012, India
Yadav, R., Department of Physics, Indian Institute of Science, C.V. Raman Avenue, Bangalore, 560012, India
De Groot, F.M.F., Inorganic Chemistry and Catalysis, Debye Institute for Nanomaterials Science, Utrecht University, Universiteitsweg 99, Utrecht, 3584 CG, Netherlands
Singh, A.K., Institute Instrumentation Centre, Indian Institute of Technology, Roorkee, Uttarakhand, 247667, India, Department of Physics, Marwari College, Darbhanga, Bihar, 846004, India
Ray, A., Department of Physics, Indian Institute of Technology, Roorkee, Uttarakhand, 247667, India
Gupta, M., UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore, 452 017, India
Singh, A., Department of Physics, Indian Institute of Technology, Roorkee, Uttarakhand, 247667, India
Maurya, S., Institute Instrumentation Centre, Indian Institute of Technology, Roorkee, Uttarakhand, 247667, India
Elizabeth, S., Department of Physics, Indian Institute of Science, C.V. Raman Avenue, Bangalore, 560012, India
Varma, S., Institute of Physics, Bhubaneshwar, 750012, India
Maitra, T., Department of Physics, Indian Institute of Technology, Roorkee, Uttarakhand, 247667, India
Malik, V., Department of Physics, Indian Institute of Technology, Roorkee, Uttarakhand, 247667, India
Appears in Collections:Journal Publications [PH]

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