First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO3

Kezsmarki, I.; Fishman, Randy Scott

doi:10.1088/1367-2630/18/4/043025

Title: First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO₃

Abstract

Due to the complicated magnetic and crystallographic structures of BiFeO₃, its magnetoelectric (ME) couplings and microscopic model Hamiltonian remain poorly understood. By employing a firstprinciples approach, we uncover all possibleMEcouplings associated with the spin-current (SC) and exchange-striction (ES) polarizations, and construct an appropriate Hamiltonian for the long-range spin-cycloid in BiFeO₃. First-principles calculations are used to understand the microscopic origins of theMEcouplings.Wefind that inversion symmetries broken by ferroelectric and antiferroelectric distortions induce the SC and the ES polarizations, which cooperatively produce the dynamicME effects in BiFeO₃. A model motivated by first principles reproduces the absorption difference of counter-propagating light beams called non-reciprocal directional dichroism. The current paper focuses on the spin-driven (SD) polarizations produced by a dynamic electric field, i.e. the dynamic MEcouplings. Due to the inertial properties of Fe, the dynamic SD polarizations differ significantly from the static SD polarizations. Our systematic approach can be generally applied to any multiferroic material, laying the foundation for revealing hiddenMEcouplings on the atomic scale and for exploiting opticalMEeffects in the next generation of technological devices such as optical diodes.

Authors:

Kezsmarki, I. ^[1]; Fishman, Randy Scott ^[2]

Budapest Univ. of Technology and Economics, Budapest (Hungary)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Mon Apr 18 00:00:00 EDT 2016

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1261366

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: New Journal of Physics

Additional Journal Information:: Journal Volume: 18; Journal ID: ISSN 1367-2630

Publisher:: IOP Publishing

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats


                    Kezsmarki, I., and Fishman, Randy Scott. First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO3.  United States: N. p., 2016. 
Web.  doi:10.1088/1367-2630/18/4/043025.

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                    Kezsmarki, I., & Fishman, Randy Scott. First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO3.  United States.  https://doi.org/10.1088/1367-2630/18/4/043025

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                    Kezsmarki, I., and Fishman, Randy Scott. Mon .  
"First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO3".  United States.  https://doi.org/10.1088/1367-2630/18/4/043025.  https://www.osti.gov/servlets/purl/1261366.

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@article{osti_1261366,

  title        = {First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO3},

  author       = {Kezsmarki, I. and Fishman, Randy Scott},

  abstractNote = {Due to the complicated magnetic and crystallographic structures of BiFeO3, its magnetoelectric (ME) couplings and microscopic model Hamiltonian remain poorly understood. By employing a firstprinciples approach, we uncover all possibleMEcouplings associated with the spin-current (SC) and exchange-striction (ES) polarizations, and construct an appropriate Hamiltonian for the long-range spin-cycloid in BiFeO3. First-principles calculations are used to understand the microscopic origins of theMEcouplings.Wefind that inversion symmetries broken by ferroelectric and antiferroelectric distortions induce the SC and the ES polarizations, which cooperatively produce the dynamicME effects in BiFeO3. A model motivated by first principles reproduces the absorption difference of counter-propagating light beams called non-reciprocal directional dichroism. The current paper focuses on the spin-driven (SD) polarizations produced by a dynamic electric field, i.e. the dynamic MEcouplings. Due to the inertial properties of Fe, the dynamic SD polarizations differ significantly from the static SD polarizations. Our systematic approach can be generally applied to any multiferroic material, laying the foundation for revealing hiddenMEcouplings on the atomic scale and for exploiting opticalMEeffects in the next generation of technological devices such as optical diodes.},

  doi          = {10.1088/1367-2630/18/4/043025},

  journal      = {New Journal of Physics},

  number       = ,

  volume       = 18,

  place        = {United States},

  year         = {Mon Apr 18 00:00:00 EDT 2016},

  month        = {Mon Apr 18 00:00:00 EDT 2016}

}

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Works referencing / citing this record:

Vibrational spectra of multiferroics with Y- and Z-type hexaferrite structures
journal, August 2018

Kamba, Stanislav; Borodavka, Fedir; Kadlec, Filip
Ferroelectrics, Vol. 532, Issue 1
DOI: 10.1080/00150193.2018.1499406

Lattice and spin dynamics in multiferroic BiFeO3 and RMnO3
journal, May 2019

Song, Yan; Xu, Ben; Nan, Ce-Wen
National Science Review, Vol. 6, Issue 4
DOI: 10.1093/nsr/nwz055

Electromagnon in the Y-type hexaferrite ${BaSrCoZnFe}_{11} {AlO}_{22}$
journal, April 2018

Vít, Jakub; Kadlec, Filip; Kadlec, Christelle
Physical Review B, Vol. 97, Issue 13
DOI: 10.1103/physrevb.97.134406

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Title: First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO3

Abstract

Citation Formats

Vibrational spectra of multiferroics with Y- and Z-type hexaferrite structures journal, August 2018

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Title: First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO₃

Vibrational spectra of multiferroics with Y- and Z-type hexaferrite structures
journal, August 2018

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journal, May 2019

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