Site-mixing effect on the XMCD spectrum in double perovskite Bi2FeMnO6

Ahmed, Towfiq; Chen, Aiping; McFarland, Brian; Wang, Qiang; Ohldag, Hendrik; Sandberg, Richard; Jia, Quanxi; Yarotski, Dmitry A.; Zhu, Jian-Xin

doi:10.1063/1.4953828

Title: Site-mixing effect on the XMCD spectrum in double perovskite Bi₂FeMnO₆

Abstract

We investigate magnetization in double perovskite multiferroic Bi₂FeMnO₆ (BFMO) thin film using density functional theory (DFT) simulations, and X-ray magnetic circular dichroism (XMCD) measurements. The exchange interaction between Fe and Mn sites gives rise to a ferrimagnetic ordering in BFMO. When grown without structural defects, distinct XMCD signal is expected from this system. The site resolved magnetization, thus, can be extracted using XMCD sum rules. Although our theoretical calculations are consistent with this expectation for the ideal BFMO system, experimental measurements find evidence of anomalous peak for the L₂ and L₃ edges of XMCD signals, and thus, the XMCD sum rules are no longer valid. We theoretically explain this phenomenon by considering both tetragonal (near interface), and monoclinic (bulk) phases of BFMO system, with Fe and Mn ions interchanged between their respective sites. Such site-mixing between magnetic cations are commonly found during the synthesis process. Our DFT calculations of XMCD for site interchanged Fe and Mn ions in the bulk phase (monoclinic) of BFMO are in good agreement with experimental XMCD signal and reproduce the anomalous peak features at L₂/L₃ edges.

Authors:

Ahmed, Towfiq ^[1]; Chen, Aiping ^[2]; McFarland, Brian ^[2]; Wang, Qiang ^[3]; Ohldag, Hendrik ^[4]; Sandberg, Richard ^[2]; Jia, Quanxi ^[2]; Yarotski, Dmitry A. ^[2]; Zhu, Jian-Xin ^[2]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Center for Integrated Nanotechnologies
Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)

Publication Date:: Wed Jun 15 00:00:00 EDT 2016

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

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

OSTI Identifier:: 1393475

Alternate Identifier(s):: OSTI ID: 1420587

Grant/Contract Number:: AC02-06CH11357; AC52- 06NA25396; AC02-76SF00515

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 108; Journal Issue: 24; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Leptons; Electromagnetism; Transition metal oxides; Chemical elements; Perovskites; Exchange interactions; X-ray spectroscopy; Multiferroics; Density functional theory; Thin films

Citation Formats


                    Ahmed, Towfiq, Chen, Aiping, McFarland, Brian, Wang, Qiang, Ohldag, Hendrik, Sandberg, Richard, Jia, Quanxi, Yarotski, Dmitry A., and Zhu, Jian-Xin. Site-mixing effect on the XMCD spectrum in double perovskite Bi2FeMnO6.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4953828.

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                    Ahmed, Towfiq, Chen, Aiping, McFarland, Brian, Wang, Qiang, Ohldag, Hendrik, Sandberg, Richard, Jia, Quanxi, Yarotski, Dmitry A., & Zhu, Jian-Xin. Site-mixing effect on the XMCD spectrum in double perovskite Bi2FeMnO6.  United States.  https://doi.org/10.1063/1.4953828

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                    Ahmed, Towfiq, Chen, Aiping, McFarland, Brian, Wang, Qiang, Ohldag, Hendrik, Sandberg, Richard, Jia, Quanxi, Yarotski, Dmitry A., and Zhu, Jian-Xin. Wed .  
"Site-mixing effect on the XMCD spectrum in double perovskite Bi2FeMnO6".  United States.  https://doi.org/10.1063/1.4953828.  https://www.osti.gov/servlets/purl/1393475.

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@article{osti_1393475,

  title        = {Site-mixing effect on the XMCD spectrum in double perovskite Bi2FeMnO6},

  author       = {Ahmed, Towfiq and Chen, Aiping and McFarland, Brian and Wang, Qiang and Ohldag, Hendrik and Sandberg, Richard and Jia, Quanxi and Yarotski, Dmitry A. and Zhu, Jian-Xin},

  abstractNote = {We investigate magnetization in double perovskite multiferroic Bi2FeMnO6 (BFMO) thin film using density functional theory (DFT) simulations, and X-ray magnetic circular dichroism (XMCD) measurements. The exchange interaction between Fe and Mn sites gives rise to a ferrimagnetic ordering in BFMO. When grown without structural defects, distinct XMCD signal is expected from this system. The site resolved magnetization, thus, can be extracted using XMCD sum rules. Although our theoretical calculations are consistent with this expectation for the ideal BFMO system, experimental measurements find evidence of anomalous peak for the L2 and L3 edges of XMCD signals, and thus, the XMCD sum rules are no longer valid. We theoretically explain this phenomenon by considering both tetragonal (near interface), and monoclinic (bulk) phases of BFMO system, with Fe and Mn ions interchanged between their respective sites. Such site-mixing between magnetic cations are commonly found during the synthesis process. Our DFT calculations of XMCD for site interchanged Fe and Mn ions in the bulk phase (monoclinic) of BFMO are in good agreement with experimental XMCD signal and reproduce the anomalous peak features at L2/L3 edges.},

  doi          = {10.1063/1.4953828},

  journal      = {Applied Physics Letters},

  number       = 24,

  volume       = 108,

  place        = {United States},

  year         = {Wed Jun 15 00:00:00 EDT 2016},

  month        = {Wed Jun 15 00:00:00 EDT 2016}

}

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Multiferroic behavior in the double-perovskite Lu $_{2}$ MnCoO $_{6}$
journal, October 2011

Yáñez-Vilar, S.; Mun, E. D.; Zapf, V. S.
Physical Review B, Vol. 84, Issue 13
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Room Temperature Ferrimagnetism and Ferroelectricity in Strained, Thin Films of BiFe _0.5 Mn _0.5 O ₃
journal, October 2014

Choi, Eun-Mi; Fix, Thomas; Kursumovic, Ahmed
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Evidence for the likely occurrence of magnetoferroelectricity in the simple perovskite, BiMnO3
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Moreira dos Santos, A.; Parashar, S.; Raju, A. R.
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Title: Site-mixing effect on the XMCD spectrum in double perovskite Bi2FeMnO6

Abstract

Citation Formats

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Structural, magnetic, and optical properties of BiFeO 3 and Bi 2 FeMnO 6 epitaxial thin films: An experimental and first-principles study journal, September 2008

Dielectric hysteresis in single crystal BiFeO3 journal, July 1970

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Title: Site-mixing effect on the XMCD spectrum in double perovskite Bi₂FeMnO₆

Electron sampling depth and saturation effects in perovskite films investigated by soft x-ray absorption spectroscopy
journal, September 2014

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