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Structure and Elect...
Structure and Electronic Effects from Mn and Nb Co-doping for Low Band Gap BaTiO3 Ferroelectrics
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- Mukherjee, Soham (author)
- Uppsala universitet,Energimaterialens fysik
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- Phuyal, Dibya, 1985- (author)
- KTH,Material- och nanofysik,KTH Royal Inst Technol, Dept Appl Phys, Div Mat & Nano Phys, S-11428 Stockholm, Sweden.
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- Segre, Carlo U. (author)
- Illinois Inst Technol, CSRRI, Chicago, IL 60616 USA.;Illinois Inst Technol, Dept Phys, Chicago, IL 60616 USA.
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- Das, Shyamashis (author)
- Ramananda Coll, Dept Chem, Bishnupur 722122, W Bengal, India.
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- Karis, Olof (author)
- Uppsala universitet,Energimaterialens fysik
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- Edvinsson, Tomas, Professor, 1970- (author)
- Uppsala universitet,Fasta tillståndets fysik
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- Rensmo, Håkan (author)
- Uppsala universitet,Energimaterialens fysik
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(creator_code:org_t)
- 2021-07-01
- 2021
- English.
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In: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 125:27, s. 14910-14923
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Abstract
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- We have investigated the doping-induced local structural and electronic effects in the recently developed low band gap room temperature ferroelectric Mn-Nb co-doped BaTiO3. Experimental and theoretical Raman spectroscopies are utilized to quantify the Ti off-centering, identified to be the intrinsic origin of ferroelectricity in these systems. Mn and Nb exhibit contrasting doping behaviors that have remarkable effects on BaTiO3 functionality. Jahn-Teller distorted Mn3+ is primarily associated with lowering of the bulk band gap, while charge-compensating Nb5+ off-centers within the O-6 octahedra, creating a polar mode that stabilizes the ferroelectric ground state. The charge neutral aliovalent Mn3+-Nb5+ pair effectively couples to the inherent ferroelectric instability of the BaTiO3 lattice, restoring some spontaneous polarization lost by doping Mn3+ (d(4)) ions at Ti4+ (d(0)) sites.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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