Orbital reconstruction in a self-assembled oxygen vacancy nanostructure

Jang, H.; Kerr, G.; Lim, J. S.; Yang, C. -H.; Kao, C. -C.; Lee, J. -S.

doi:10.1038/srep12402

Title: Orbital reconstruction in a self-assembled oxygen vacancy nanostructure

Journal Article · Mon Jul 27 00:00:00 EDT 2015 · Scientific Reports

DOI:https://doi.org/10.1038/srep12402· OSTI ID:1208656

Jang, H. ^[1]; Kerr, G. ^[1]; Lim, J. S. ^[2]; Yang, C. -H. ^[2]; Kao, C. -C. ^[1]; Lee, J. -S. ^[1]

SLAC National Accelerator Laboratory, Menlo Park, CA (United States)
KAIST, Daejeon (South Korea). Department of Physics.

Here, we demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1 nm) in BiFeO₃, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy confinements and total number of vacancy are controlled by substitution of Ca²⁺ for Bi³⁺ cation. We found that by increasing the substitution, the in-plane orbital bands of Fe³⁺ cations are reconstructed without any redox reaction. It leads to a reduction of the hopping between Fe atoms, forming a localized valence band, in particular Fe 3d-electronic structure, around the Fermi level. This band localization causes to decrease the conductivity of the doped BiFeO₃ system.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1208656

Alternate ID(s):: OSTI ID: 1330302

Report Number(s):: SLAC-PUB-16728; srep12402

Journal Information:: Scientific Reports, Vol. 5; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 11 works

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References (30)

Atomic-scale imaging of nanoengineered oxygen vacancy profiles in SrTiO3 Muller, David A.; Nakagawa, Naoyuki; Ohtomo, Akira Nature, Vol. 430, Issue 7000 https://doi.org/10.1038/nature02756	journal	August 2004
Magnetic and superconducting phases at the LaAlO $_{3}$ /SrTiO $_{3}$ interface: The role of interfacial Ti 3 $d$ electrons Pavlenko, N.; Kopp, T.; Tsymbal, E. Y. Physical Review B, Vol. 85, Issue 2 https://doi.org/10.1103/PhysRevB.85.020407	journal	January 2012
A new route to the Mott-Hubbard metal-insulator transition: Strong correlations effects in Pr0.7Ca0.3MnO3 Lee, Hong Sub; Choi, Sun Gyu; Park, Hyung-Ho Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep01704	journal	April 2013
Magnetic Oxide Heterostructures Bhattacharya, Anand; May, Steven J. Annual Review of Materials Research, Vol. 44, Issue 1 https://doi.org/10.1146/annurev-matsci-070813-113447	journal	July 2014
Role of Oxygen Vacancies on the Performance of Li[Ni _{0.5– x} Mn _{1.5+ x} ]O ₄ ( x = 0, 0.05, and 0.08) Spinel Cathodes for Lithium-Ion Batteries Song, Jie; Shin, Dong Wook; Lu, Yuhao Chemistry of Materials, Vol. 24, Issue 15 https://doi.org/10.1021/cm301825h	journal	July 2012
Unveiling Structure–Property Relationships in Sr ₂ Fe _1.5 Mo _0.5 O _6−δ , an Electrode Material for Symmetric Solid Oxide Fuel Cells Muñoz-García, Ana B.; Bugaris, Daniel E.; Pavone, Michele Journal of the American Chemical Society, Vol. 134, Issue 15 https://doi.org/10.1021/ja300831k	journal	April 2012
Li-Ion Batteries: Oxygen Vacancies and Ordering of d-levels Control Voltage Suppression in Oxide Cathodes: the Case of Spinel LiNi _0.5 Mn _1.5 O _{4- δ} (Adv. Funct. Mater. 44/2013) Sushko, Peter V.; Rosso, Kevin M.; Zhang, Ji-Guang Advanced Functional Materials, Vol. 23, Issue 44 https://doi.org/10.1002/adfm.201370224	journal	November 2013
Lithium and oxygen vacancies and their role in Li ₂ O ₂ charge transport in Li–O ₂ batteries Varley, J. B.; Viswanathan, V.; Nørskov, J. K. Energy Environ. Sci., Vol. 7, Issue 2 https://doi.org/10.1039/C3EE42446D	journal	January 2014
Switchable Ferroelectric Diode and Photovoltaic Effect in BiFeO ₃ Choi, T.; Lee, S.; Choi, Y. J. Science, Vol. 324, Issue 5923 https://doi.org/10.1126/science.1168636	journal	February 2009
Mechanism of the Switchable Photovoltaic Effect in Ferroelectric BiFeO3 Yi, H. T.; Choi, T.; Choi, S. G. Advanced Materials, Vol. 23, Issue 30 https://doi.org/10.1002/adma.201100805	journal	June 2011
Photoelectric Effects in Single Domain BiFeO ₃ Crystals Moubah, Reda; Rousseau, Olivier; Colson, Dorothée Advanced Functional Materials, Vol. 22, Issue 22 https://doi.org/10.1002/adfm.201201150	journal	July 2012
Evidence for oxygen vacancy or ferroelectric polarization induced switchable diode and photovoltaic effects in BiFeO ₃ based thin films Guo, Yiping; Guo, Bing; Dong, Wen Nanotechnology, Vol. 24, Issue 27 https://doi.org/10.1088/0957-4484/24/27/275201	journal	June 2013
Oxygen vacancies induced switchable and nonswitchable photovoltaic effects in Ag/Bi _0.9 La _0.1 FeO ₃ /La _0.7 Sr _0.3 MnO ₃ sandwiched capacitors Gao, R. L.; Yang, H. W.; Chen, Y. S. Applied Physics Letters, Vol. 104, Issue 3 https://doi.org/10.1063/1.4862793	journal	January 2014
Electric modulation of conduction in multiferroic Ca-doped BiFeO3 films Yang, C. -H.; Seidel, J.; Kim, S. Y. Nature Materials, Vol. 8, Issue 6 https://doi.org/10.1038/nmat2432	journal	April 2009
Detection of electrically formed photosensitive area in Ca-doped BiFeO ₃ thin films Kamala Bharathi, K.; Lee, Won-Mo; Ho Sung, Ji Applied Physics Letters, Vol. 102, Issue 1 https://doi.org/10.1063/1.4774381	journal	January 2013
The Relations between Oxygen Vacancies and Structures in the Solid Solution Systems Sr1-xMxFeO3-δ(M=Y, La, Bi and ln) Yamamura, Hiroshi; Kiriyama, Ryoichi NIPPON KAGAKU KAISHI, Issue 2 https://doi.org/10.1246/nikkashi.1972.343	journal	January 1972
Detailed Phase Analysis and Crystal Structure Investigation of a Bi _{1− x} Ca _x FeO _{3− x /2} Perovskite-Related Solid Solution Phase and Selected Property Measurements Thereof Schiemer, Jason; Withers, Ray; Norén, Lasse Chemistry of Materials, Vol. 21, Issue 18 https://doi.org/10.1021/cm901757h	journal	September 2009
Atomic Configuration of Planar Defects in Multiferroic Ca-doped BiFeO ₃ Films Rossell, Md; Ramasse, Qm; Erni, R. Microscopy and Microanalysis, Vol. 16, Issue S2 https://doi.org/10.1017/S1431927610055868	journal	July 2010
A careful phase analysis and TEM investigation of the incommensurately modulated, (Bi _1−x M ^II )Fe ^III O _3−x/2 ( M = Ca and Sr), solid solution phases Withers, R. L.; Schiemer, J.; Bourgeois, L. Journal of Physics: Conference Series, Vol. 226 https://doi.org/10.1088/1742-6596/226/1/012015	journal	April 2010
Calcium-doping effects on photovoltaic response and structure in multiferroic BiFeO ₃ ceramics Tu, C. S.; Hung, C. -M.; Xu, Z. -R. Journal of Applied Physics, Vol. 114, Issue 12 https://doi.org/10.1063/1.4823856	journal	September 2013
Controlled-valence properties of ${La}_{1 - x}$ ${Sr}_{x}$ ${FeO}_{3}$ and ${La}_{1 - x}$ ${Sr}_{x}$ ${MnO}_{3}$ studied by soft-x-ray absorption spectroscopy Abbate, M.; de Groot, F. M. F.; Fuggle, J. C. Physical Review B, Vol. 46, Issue 8 https://doi.org/10.1103/PhysRevB.46.4511	journal	August 1992
Interface Ferromagnetism and Orbital Reconstruction in ${BiFeO}_{3} − {La}_{0.7} {Sr}_{0.3} {MnO}_{3}$ Heterostructures Yu, P.; Lee, J. -S.; Okamoto, S. Physical Review Letters, Vol. 105, Issue 2 https://doi.org/10.1103/PhysRevLett.105.027201	journal	July 2010
Advanced resonant soft x-ray diffraction to study ordering phenomena in magnetic materials Staub, Urs Journal of Physics: Conference Series, Vol. 211 https://doi.org/10.1088/1742-6596/211/1/012003	journal	February 2010
Symmetry of Orbital Order in ${Fe}_{3} O_{4}$ Studied by Fe $L_{2, 3}$ Resonant X-Ray Diffraction Tanaka, A.; Chang, C. F.; Buchholz, M. Physical Review Letters, Vol. 108, Issue 22 https://doi.org/10.1103/PhysRevLett.108.227203	journal	May 2012
2 p x-ray absorption of 3 d transition-metal compounds: An atomic multiplet description including the crystal field de Groot, F. M. F.; Fuggle, J. C.; Thole, B. T. Physical Review B, Vol. 42, Issue 9 https://doi.org/10.1103/PhysRevB.42.5459	journal	September 1990
Multiplet calculations of L _2,3 x-ray absorption near-edge structures for 3d transition-metal compounds Ikeno, Hidekazu; de Groot, Frank M. F.; Stavitski, Eli Journal of Physics: Condensed Matter, Vol. 21, Issue 10 https://doi.org/10.1088/0953-8984/21/10/104208	journal	February 2009
Oxygen-vacancy ordering in multiferroic Bi _1−x Ca _x FeO _3−x/2 (0.1 ⩽ x ⩽ 0.5) Cao, G. L.; Ma, C.; Chen, Z. EPL (Europhysics Letters), Vol. 102, Issue 2 https://doi.org/10.1209/0295-5075/102/27002	journal	April 2013
X-ray Resonant Exchange Scattering: Polariztaion Dependence and Correlation Function Hill, J. P.; McMorrow, D. F. Acta Crystallographica Section A Foundations of Crystallography, Vol. 52, Issue 2 https://doi.org/10.1107/S0108767395012670	journal	March 1996
Orbital and Bonding Anisotropy in a Half-Filled ${GaFeO}_{3}$ Magnetoelectric Ferrimagnet Kim, J. -Y.; Koo, T. Y.; Park, J. -H. Physical Review Letters, Vol. 96, Issue 4 https://doi.org/10.1103/physrevlett.96.047205	journal	January 2006
Defects in correlated metals and superconductors Alloul, H.; Bobroff, J.; Gabay, M. Reviews of Modern Physics, Vol. 81, Issue 1 https://doi.org/10.1103/revmodphys.81.45	journal	January 2009

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Effect of strain on the modifications in electronic structure and resistive switching in Ca-doped BiFeO ₃ films Jethva, Sadaf; Katba, Savan; Bhatnagar, Mukul Journal of Applied Physics, Vol. 125, Issue 8 https://doi.org/10.1063/1.5045844	journal	February 2019
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