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Experimental and computational investigation of the polar ferrimagnet VOSe2O5

Kim, S.-H., Halasyamani, P.S., Melot, B.C., Seshadri, R., Green, M.A., Sefat, A.S., Mandrus, D. (2010) Experimental and computational investigation of the polar ferrimagnet VOSe2O5. Chemistry of Materials, 22 (17). pp. 5074-5083. ISSN 08974756 (ISSN). (doi:10.1021/cm1011839) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1021/cm1011839

Abstract

We have re-examined the crystal structure and the physical properties of VOSe2O5 by performing single crystal X-ray and powder neutron diffraction, alternating current (AC) and direct current (DC) magnetization measurements, heat capacity, dielectric properties, and second-harmonic generation (SHG) measurements. From these studies, we observed that the compound undergoes three magnetic transitions near 4, 5.5, and 8 K. In addition, we observed ferrimagnetic behavior as the magnetic ground state, confirmed by the isothermal magnetization measured below 8 K that reveals a saturated magnetic moment of 0.5 μB per formula unit, consistent with density functional calculations of the magnetically ordered ground state. We propose a ferrimagnetic spin arrangement that is consistent with neutron diffraction measurements as well. Frequency dependence in the AC magnetic susceptibility, observed at 5.5 K, is considered as short-range magnetic ordering and may be associated with the competition between nearest neighbor and next nearest neighbor interactions of the V4+ cations. A dielectric anomaly near 240 K and non-centrosymmetric functional properties, notably, second harmonic generation and electric polarization, are also discussed. © 2010 American Chemical Society.

Item Type: Article
DOI/Identification number: 10.1021/cm1011839
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Chem. Mater. [Field not mapped to EPrints] AD - Department of Chemistry, University of Houston, 136 Fleming Building, Houston, TX 77204-5003, United States [Field not mapped to EPrints] AD - Materials Department, Materials Research Laboratory, University of California, Santa Barbara, CA 93106-5121, United States [Field not mapped to EPrints] AD - Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742-2115, United States [Field not mapped to EPrints] AD - NIST Center for Neutron Research, National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, MD 20899-6103, United States [Field not mapped to EPrints] AD - Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, United States [Field not mapped to EPrints] AD - Department of Materials Science and Engineering, 325 Dougherty Hall, University of Tennessee, Knoxville, TN 37996, United States [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Uncontrolled keywords: AC Magnetic susceptibility, Alternating current, Computational investigation, Density-functional calculations, Dielectric anomaly, Direct current, Electric polarization, Ferrimagnetic behavior, Ferrimagnets, Frequency dependence, Functional properties, Heat capacities, Isothermal magnetization, Magnetic ground state, Magnetic ordering, Magnetic transitions, Magnetization measurements, Nearest neighbors, Neutron diffraction measurements, Next nearest neighbor interaction, Non-centrosymmetric, Powder neutron diffraction, Second harmonic generation, Spin arrangement, Crystal structure, Dielectric properties, Ferrimagnetism, Ground state, Magnetic moments, Magnetic susceptibility, Magnetization, Neutron diffraction, Nonlinear optics, Single crystals, Harmonic generation
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QD Chemistry > QD478 Solid State Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Giles Tarver
Date Deposited: 15 Oct 2015 11:18 UTC
Last Modified: 29 May 2019 16:09 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/50998 (The current URI for this page, for reference purposes)
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