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Nonlocal Interactio...
Nonlocal Interactions in the Double Perovskite Sr2FeMoO6 from Core-Level X‐ray Spectroscopy
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- Phuyal, Dibya, 1985- (author)
- Uppsala universitet,KTH,Material- och nanofysik,Uppsala Univ, Dept Phys, Div Mol & Condensed Matter Phys, SE-75121 Uppsala, Sweden,Institutionen för fysik och astronomi,KTH Royal Inst Technol, Dept Appl Phys, Div Mat & Nano Phys, SE-10691 Stockholm, Sweden.
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- Mukherjee, Soham (author)
- Uppsala universitet,Energimaterialens fysik
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- Panda, Swarup K (author)
- Bennett Univ, Dept Phys, Greater Noida 201310, Uttar Pradesh, India.
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- Man, Gabriel (author)
- Uppsala universitet,Energimaterialens fysik
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- Simonov, Konstantin, 1988- (author)
- Uppsala universitet,Energimaterialens fysik
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- Simonelli, Laura (author)
- CELLS ALBA Synchrotron, E-08290 Barcelona, Spain.
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- Butorin, Sergei (author)
- Uppsala universitet,Energimaterialens fysik
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- Rensmo, Håkan (author)
- Uppsala universitet,Energimaterialens fysik
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- Karis, Olof (author)
- Uppsala universitet,Energimaterialens fysik,Uppsala Univ, Dept Phys, Div Mol & Condensed Matter Phys, SE-75121 Uppsala, Sweden.
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(creator_code:org_t)
- 2021-05-13
- 2021
- English.
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In: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 125, s. 11249-11256
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Abstract
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- The valence electronic structure of the half-metallicdouble perovskite Sr2FeMoO6 forms from a strongly hybridizedband in the spin-down channel of Fe 3d and Mo 4d states thatprovides metallic conductivity and a gapped spin-up channel. Theground-state description has previously been explored in terms ofmany-body interactions where local and nonlocal interactionsproduce states with a combination of a charge-transferconfiguration and intersite charge fluctuations. Here, we providea qualitative understanding on nonlocal effects in Sr2FeMoO6using a combination of core-level X-ray spectroscopies, specificallyX-ray absorption, emission, and photoelectron spectroscopies. Ourspectroscopic data indicate intersite Fe 4p−O 2p−Mo 4dinteractions to be the origin of these nonlocalized transitions.Close to the Fermi level, this interaction is dominated by Mo 4d−O 2p character. When our data are compared against first- principles electronic structure calculations, we conclude that a full understanding of the nature of these states requires a spin-resolved description of the hybridization functions and that the nonlocal screening occurs predominantly through hybridization in the minority spin channel of the Mo 4d bands.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- double perovskite
- X-ray absorption spectroscopy
- hard X-ray photoemission spectroscopy
- Material and Nano Physics
- Material- och nanofysik
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Phuyal, Dibya, 1 ...
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Mukherjee, Soham
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Panda, Swarup K
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Man, Gabriel
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Simonov, Konstan ...
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Simonelli, Laura
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show more...
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Butorin, Sergei
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Rensmo, Håkan
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Karis, Olof
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Condensed Matter ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Physical Chemist ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Theoretical Chem ...
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The Journal of P ...
- By the university
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Royal Institute of Technology
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Uppsala University