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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measurements find evidence of anomalous peak for the L2 and L3 edges of XMCD signals, and thus, the XMCD sum rules are no longer valid.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:
 [1];  [2];  [2];  [3];  [4];  [2];  [2];  [2];  [2]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Center for Integrated Nanotechnologies
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
  4. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
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.
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. doi:10.1063/1.4953828.
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. doi:10.1063/1.4953828. https://www.osti.gov/servlets/purl/1393475.
@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 = {2016},
month = {6}
}

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