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The strong spin-orbit interaction in the organic-inorganic perovskites tied to the incorporation of heavy elements (\textit{e.g.} Pb, I) makes these materials interesting for applications in spintronics. Due to a lack of inversion symmetry…

We establish a quantitative relation between the altermagnetic spin-splitting and different higher order multipoles of the charge and magnetization density around the magnetic atoms. Magnetic multipoles such as octupoles or triakontadipoles…

Materials Science · Physics 2025-12-22 Francesco Martinelli , Anouk Droux , Claude Ederer

Spin-reorientation phase transitions that involve the rotation of a crystal$'$s magnetization have been well characterized in distorted-perovskite oxides such as the orthoferrites. In these systems spin reorientation occurs due to competing…

Strongly Correlated Electrons · Physics 2020-06-29 A. M. Vibhakar , D. D. Khalyavin , P. Manuel , J. Liu , A. A. Belik , R. D. Johnson

We theoretically study origins of the ferroelectricity in the multiferroic phases of the rare-earth (R) Mn perovskites, RMnO3, by constructing a realistic spin model including the spin-phonon coupling, which reproduces the entire…

Strongly Correlated Electrons · Physics 2011-02-21 Masahito Mochizuki , Nobuo Furukawa , Naoto Nagaosa

The ability to tune magnetic orders, such as magnetic anisotropy and topological spin texture, is desired in order to achieve high-performance spintronic devices. A recent strategy has been to employ interfacial engineering techniques, such…

The interplay of strong electronic correlations, sizable octahedral distortions, and pronounced spin-orbit coupling (SOC) makes perovskite oxides promising candidates for realizing altermagnetic phases. We study altermagnetic phases in…

Materials Science · Physics 2025-12-16 Andrea León , Carmine Autieri , Thomas Brumme , Jhon W. González

The magnetic phase diagram of the perovskite-type Ti oxides as a function of the GdFeO3-type distortion is examined by using the Hartree-Fock analysis of a multiband d-p Hamiltonian from a viewpoint of competitions of the spin-orbit…

Strongly Correlated Electrons · Physics 2007-05-23 Masahito Mochizuki

Based on density functional theory calculations and group theoretical analysis, we have studied NaLaMnWO$_{6}$ compound which has been recently synthesized [Phys. Rev. B 79, 224428 (2009)] and belongs to the $AA'BB'{\rm O}_{6}$ family of…

Materials Science · Physics 2017-09-13 T. Fukushima , A. Stroppa , S. Picozzi , J. M. Perez-Mato

Recently, the perovskite BiCoO$_3$ has been shown experimentally to be isostructural with PbTiO$_3$, while simultaneously the $d^6$ Co$^{3+}$ ion has a high spin ground state with $C$-type antiferromagnetic ordering. Using hybrid density…

Materials Science · Physics 2016-05-04 Leigh Weston , Xiangyuan Cui , Simon P. Ringer , Catherine Stampfl

Lead-free antiferroelectric perovskite $\rm AgNbO_3$ is nowadays attracting extensive research interests due to its promising applications in energy storage. Although great progress has been made in optimizing the material performance,…

Materials Science · Physics 2025-11-18 Huazhang Zhang , Konstantin Shapovalov , Safari Amisi , Philippe Ghosez

The combination of a centrosymmetric crystallographic structure with local structural alternations and collinear antiferromagnetism can lead to broken PT (Parity $\times$ Time-reversal) symmetry, resulting in altermagnets with…

Materials Science · Physics 2025-08-01 S. V. Streltsov , S. -W. Cheong

We present results of local spin density approximation pseudopotential calculations for the ferroelectromagnet, yttrium manganite (YMnO3). The origin of the differences between ferroelectric and non-ferroelectric perovskite manganites is…

Materials Science · Physics 2015-06-25 Alessio Filippetti , Nicola A. Hill

The splitting of single-particle energies between spin-orbit partners in nuclei is examined in the framework of different self-consistent approachs, non-relativistic as well as relativistic. Analytical expressions of spin-orbit potentials…

Nuclear Theory · Physics 2009-11-06 M. Lopez-Quelle , N. Van Giai , S. Marcos , and L. N. Savushkin

We study near-neighbour and dipolar Ising models on a lattice of corner-sharing octahedra. In an extended parameter range of both models, frustration between antiferromagnetism and a spin-ice-like three-in-three-out rule stabilises a…

Strongly Correlated Electrons · Physics 2023-01-12 Attila Szabó , Fabio Orlandi , Pascal Manuel

We propose an efficient microscopic design procedure of electronic band structures having intrinsic spin and momentum dependences in spin-orbit-coupling free antiferromagnets. Our bottom-up design approach to creating desired spin-split and…

Strongly Correlated Electrons · Physics 2020-10-29 Satoru Hayami , Yuki Yanagi , Hiroaki Kusunose

We clarify the macroscopic symmetry and microscopic model-parameter conditions for emergence of spin-split electronic band structure in collinear antiferromagnets without atomic spin-orbit coupling. By using the microscopic multipole…

Strongly Correlated Electrons · Physics 2019-11-12 Satoru Hayami , Yuki Yanagi , Hiroaki Kusunose

Using the multiband $d-p$ model and unrestricted Hartree-Fock approximation we investigate the electronic structure and spin-orbital order in three-dimensional MnO$_3$ lattice such as realized in LaMnO$_3$. The orbital order is induced and…

Strongly Correlated Electrons · Physics 2019-04-04 Krzysztof Rościszewski , Andrzej M. Oleś

Magnetism-driven nonrelativistic spin splitting (NRSS) provides a pathway toward efficient, spin-orbit-free spintronics. In centrosymmetric two-dimensional antiferromagnets, spin-polarized transport is symmetry-forbidden due to the combined…

Materials Science · Physics 2026-02-24 Shantanu Pathak , Saswata Bhattacharya

Perovskites with the generic composition ABO$_3$ exhibit an enormous variety of quantum states such as magnetism, orbital order, ferroelectricity and superconductivity. Their flexible and comparatively simple structure allows for facile…

The functional properties of transition metal perovskite oxides are known to result from a complex interplay of magnetism, polarization, strain, and stoichiometry. Here, we show that for materials with a cooperative Jahn-Teller distortion,…

Materials Science · Physics 2021-01-04 Chiara Ricca , Nicolas Niederhauser , Ulrich Aschauer