Related papers: Hybrid improper dipolar density wave in NaLaCoWO$_…
We uncover a new pathway towards multiferroicity, showing how magnetism can drive ferroelectricity without relying on inversion symmetry breaking of the magnetic ordering. Our free-energy analysis demonstrates that any commensurate…
Improper ferroelectrics are described by two order parameters: a primary one, driving a transition to long-range distortive, magnetic or otherwise non-electric order, and the electric polarization, which is induced by the primary order…
Density functional theory calculations have been performed for the structural, electronic, magnetic and ferroelectric properties of a mixed-valence Fe(II)-Fe(III) formate framework [NH$_2$(CH$_3$)$_2$][Fe$^{\rm III}$Fe$^{\rm II}$(HCOO)$_6$]…
The successful theoretical prediction and experimental demonstration of hybrid improper ferroelectricity (HIF) provides a new pathway to couple octahedral rotations, ferroelectricity, and magnetism in complex materials. To enable…
The local crystal structures of many perovskite-structured materials deviate from the average space group symmetry. We demonstrate, from lattice-dynamics calculations based on quantum chemical force constants, that all the caesium-lead and…
Using first-principles calculations, we predict that tunable ferroelectricity can be realized in oxide perovskites with the Grenier structure and ordered oxygen vacancies. Specifically, we show that $R_{1/3}A_{2/3}\mathrm{FeO}_{2.67}$…
Fundamental and harmonic magneto-dielectricity studied for varied perovskite systems-- Pb0.98Gd0.02(Mg1/3Nb2/3)0.995O3 (A-site co-doped PGMN magneto-relaxor), La0.95Ca0.05CoO3 (A-site doped spin-state LCCO), and La2NiMnO6 (double-perovskite…
Perovskite metal-organic frameworks (MOFs) have recently emerged as potential candidates for multiferroicity. However, the compounds synthesized so far possess only weak ferromagnetism and low polarization. Additionally, the very low…
We have proposed the phenomenological description of polarization switching peculiarities in ferroelectric semiconductors with charged defects and prevailing extrinsic conductivity. Exactly we have modified Landau-Ginsburg approach shown…
We consider various incommensurate (IC) order parameters for electrons on a square lattice which reduce to $d_{x^2-y^2}$-density wave (DDW) order when the ordering wavevector ${\bf Q}\to (\pi,\pi)$. We describe the associated charge and…
The octahedron tilt transitions of ABX_3 perovskite-structure materials lead to an anti-polar (or antiferroelectric) arrangement of dipoles, with the low temperature structure having six sublattices polarized along various crystallographic…
Polar liquid crystals possess three dimensional orientational order coupled with unidirectional electric polarity, yielding fluid ferroelectrics. Such polar phases are generated by rod-like molecules with large electric dipole moments.…
Temperature-dependent x-ray diffraction of the low-dimensional spin 1/2 quantum magnet TiOBr shows that the phase transition at T_{c2} = 47.1 (4) K corresponds to the development of an incommensurate superstructure. Below T_{c1} = 26.8 \pm…
Bismuth ferrite is one of the most widely studied multiferroic materials because of its large ferroelectric polarisation coexisting with magnetic order at room temperature. Using density functional theory (DFT), we identify several…
Ternary cubic perovskite compounds of the form A_(1/3)A'_(1/3)A''_(1/3)BO_3 and AB_(1/3)B'_(1/3)B''_(1/3)O_3, in which the differentiated cations form an alternating series of monolayers, are studied using first-principles methods. Such…
The bulk photovoltaic effect (BPVE), arising from broken inversion symmetry in ferroelectrics, offers a distinct pathway toward high-efficiency next-generation photovoltaics. We propose and investigate A/A$^\prime$-ordered double…
Results of detailed investigations of stability of phases in substances with the small difference in the energies of the ferroelectric and the antiferroelectric types of dipole ordering are presented. It is shown that interaction of locally…
We report an instability exhibited by a fluid system when coupling two distinct types of waves, both linearly damped. While none of them is unstable on its own, they amplify one another, resulting in a previously unreported convective…
Comprehensive review of investigations of substances with a small difference in the energies of the ferroelectric and antiferroelectric types of dipole ordering is presented. Detailed analysis of the stability of homogeneous phases and…
We present the results of a theoretical analysis of two-dimensionally modulated incommensurate phases in crystals and define the space distribution of magnetization and polarization vector in the incommensurate phase and demonstrate that…