Lattice dynamics of BiFeO3 under hydrostatic pressure

Зиненко, В. И.; Pavlovskiĭ, M. S.

doi:10.1134/s1063783409070208

Cited by 9 publications

(9 citation statements)

References 7 publications

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“…The results for 9 valence electrons (corresponding to the SC partition) for solids containing, Na, K and Rb at optimized geometries are comparable with the previous phonon calculations 28,29 , with differences, wrt Refs. 28,29 of less than 4% in the phonon frequencies.…”

Section: Dielectric Band Structure and Phononssupporting

confidence: 84%

Spectral representation analysis of dielectric screening in solids and molecules

Kaur

Ylvisaker

et al. 2013

Phys. Rev. B

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We propose a new approach to identify and rationalize the contribution of core electron polarization to dielectric screening, based on ab initio calculations of the dielectric matrix in its eigenpotential basis. We also present calculations of phonon frequencies, dielectric constants and quasiparticle energies of several systems, and we discuss the quantitative effect of including core polarization. Our findings illustrate efficient ways of approximating the spectral decomposition of dielectric matrices used, e.g. in many body perturbation theory and dielectric constant calculations, with substantial computational gains for large systems composed of heavy atoms.

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Section: Dielectric Band Structure and Phononssupporting

confidence: 84%

Spectral representation analysis of dielectric screening in solids and molecules

Kaur

Ylvisaker

et al. 2013

Phys. Rev. B

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“…For the preferred equilibrium direction of the axial rotation vector of the octahedra ω, we have (4) The latter form of the potential determines the depen dence of the energy of the crystal on the amplitude of the rotation mode. This form is close to the depen dence obtained for the energy of BFO from ab initio calculations in [18]. From the minimum of the poten tial, we find that the equilibrium value of the axial rotation vector of the octahedra is reached at = 3|β 1 |/2(β 11 + β 12 ).…”

Section: Thermodynamic Potential and Formulation Of The Problemsupporting

confidence: 62%

“…The magnetic potential of a BFO type multiferroic material can be represented in the form [9] ( 18) where λ is the antiferromagnetic exchange constant; D is the nonisotropic Dzyaloshinskii-Moriya exchange interaction constant; A is the inhomogeneous exchange interaction constant; γ is the flexomagneto electric interaction constant; and K i and K ij are the magnetic anisotropy constants of the magnetic and magnetoelectric origins, respectively. In this case, the magnetization and antiferromagnetic moment are assumed to be normalized to the saturation magneti zation M 0 : m = M/2M 0 and l = L/2M 0 , so that m 2 + l 2 = 1.…”

Section: Magnetoelectrical Change In the Magnetization And Antiferrommentioning

confidence: 99%

“…Under the assumption that the antiferromagnetic interaction has a large value λ ӷ D, K u , where m Ӷ l, so that l ≈ 1 is the approximately unit vector and the condition m · l = 0 is satisfied [27], the minimization of potential (18) gives the following expression for the magnetization: (19) 110…”

Section: Magnetoelectrical Change In the Magnetization And Antiferrommentioning

confidence: 99%

“…The single domain polarization switching of BFO in response to a strong electric field and related mag netoelectric effects were observed in bulk [15] and thin film [16] samples. An effective theoretical approach to the analysis of structural changes in the paramagnetic and ferroelectric phases of a multifer roic material is to perform ab initio calculations of the changes in the energy of the phases as a function of the amplitude of the structural transformation mode and control factors [17][18][19][20]. In [21], the use a similar approach for the study of BFO made it possible to determine the character of the change in the order parameters and critical fields of the phase transitions accompanied by a change in the symmetry of the BFO crystal due to the polarization displacement of atoms and the rotation of the octahedral anionic environ ment of iron ions under the influence of a strong elec tric field.…”

Section: Introductionmentioning

confidence: 99%

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Electric-field-induced structural and magnetic transformations in BiFeO3 multiferroics

et al. 2015

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The influence of an electric field on the structural changes and related transformation of the mag netic subsystem in a BiFeO 3 multiferroic material has been investigated in the framework of the phenomeno logical model based on the Ginzburg-Landau theory. The hysteresis dependences of the electric polariza tion, the counter rotation of oxygen octahedra, the magnetization, and the antiferromagnetic vector have been obtained as a function of the electric field applied along the crystallographic directions [110] and [001] of the pseudocubic structure. The model parameters are consistent with the results of the ab initio calcula tions of the structural and magnetic transitions in this material. It has been shown that, in the region of the existence of a spatially modulated spin state, an abrupt change in the polarization vector leads to a stepwise transformation of the antiferromagnetic structure. Within the proposed approach, the electric field con trolled change in the spin structure of the multiferroic material is adequately described in the range of weak and strong magnetic fields.

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Magnetodielectric properties of nanodisc bismuth ferrite grown within Na-4 mica nanochannels

Hajra

Pal

Datta

et al. 2010

Journal of Applied Physics

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Bismuth Ferrite nanodiscs of ∼0.6 nm thickness and 4.5 nm diameter have been synthesized within Na-4 mica nanochannels. The nanocomposite shows weakly ferromagnetic behavior. The zero field cooled magnetization data indicate a spin glass like behavior by the nanodisc surfaces with a freezing temperature of 10 K. The material shows superparamagnetic and strongly ferroelectric behavior at room temperature. A magnetodielectric coupling has been observed. The change in dielectric constant as a function of magnetic field up to 1.2 T is found to be ∼12% at room temperature, which is much higher than that reported so far in the case of bulk bismuth ferrite systems. The dielectric response of this nanocomposite system has been studied in very high frequency range between 80 and 120 GHz at room temperature. The data indicate the presence of resonance interaction.

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Lattice dynamics of BiFeO3 under hydrostatic pressure

Cited by 9 publications

References 7 publications

Spectral representation analysis of dielectric screening in solids and molecules

Spectral representation analysis of dielectric screening in solids and molecules

Electric-field-induced structural and magnetic transformations in BiFeO3 multiferroics

Magnetodielectric properties of nanodisc bismuth ferrite grown within Na-4 mica nanochannels

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