9 research outputs found
Quantum phase transitions in the Kitaev--Heisenberg model on a single hexagon
We present a detailed analysis of the Kitaev--Heisenberg model on a single
hexagon. The energy spectra and spin--spin correlations obtained using exact
diagonalisation indicate quantum phase transitions between antiferromagnetic
and anisotropic spin correlations when the Kitaev interactions increase. In
cluster mean-field approach frustrated nearest neighbor exchange stabilizes the
stripe phase in between the N\'eel phase and frustrated one which evolves
towards the Kitaev spin liquid.Comment: 3 pages, 3 figures, Euroconference Physics of Magnetism, Pozna\'n
201
Evolution of Spin-Orbital Entanglement with Increasing Ising Spin-Orbit Coupling
Several realistic spin-orbital models for transition metal oxides go beyond
the classical expectations and could be understood only by employing the
quantum entanglement. Experiments on these materials confirm that spin-orbital
entanglement has measurable consequences. Here, we capture the essential
features of spin-orbital entanglement in complex quantum matter utilizing 1D
spin-orbital model which accommodates SU(2)xSU(2) symmetric Kugel-Khomskii
superexchange as well as the Ising on-site spin-orbit coupling. Building on the
results obtained for full and effective models in the regime of strong
spin-orbit coupling, we address the question whether the entanglement found on
superexchange bonds always increases when the Ising spin-orbit coupling is
added. We show that (i) quantum entanglement is amplified by strong spin-orbit
coupling and, surprisingly, (ii) almost classical disentangled states are
possible. We complete the latter case by analyzing how the entanglement
existing for intermediate values of spin-orbit coupling can disappear for
higher values of this coupling.Comment: Proceedings paper [Quantum Complex Matter Conference, June 2020,
Frascati] reporting on the research first presented in Physical Review
Research 2, 013353 (2020) [arXiv:1911.12180
How spin-orbital entanglement depends on the spin-orbit coupling in a Mott insulator
The concept of the entanglement between spin and orbital degrees of freedom
plays a crucial role in understanding various phases and exotic ground states
in a broad class of materials, including orbitally ordered materials and spin
liquids. We investigate how the spin-orbital entanglement in a Mott insulator
depends on the value of the spin-orbit coupling of the relativistic origin. To
this end, we numerically diagonalize a 1D spin-orbital model with the
'Kugel-Khomskii' exchange interactions between spins and orbitals on different
sites supplemented by the on-site spin-orbit coupling. In the regime of small
spin-orbit coupling w.r.t. the spin-orbital exchange, the ground state to a
large extent resembles the one obtained in the limit of vanishing spin-orbit
coupling. On the other hand, for large spin-orbit coupling the ground state
can, depending on the model parameters, either still show negligible
spin-orbital entanglement, or can evolve to a highly spin-orbitally entangled
phase with completely distinct properties that are described by an effective
XXZ model. The presented results suggest that: (i) the spin-orbital
entanglement may be induced by large on-site spin-orbit coupling, as found in
the 5d transition metal oxides, such as the iridates; (ii) for Mott insulators
with weak spin-orbit coupling of Ising-type, such as e.g. the alkali
hyperoxides, the effects of the spin-orbit coupling on the ground state can, in
the first order of perturbation theory, be neglected.Comment: 16 pages, 8 figures; accepted in Physical Review Researc
Origin of monoclinic distortion and its impact on the electronic properties in KO
We use the density functional theory and lattice dynamics calculations to
investigate the properties of potassium superoxide KO in which spin,
orbital, and lattice degrees of freedom are interrelated and determine the
low-temperature phase. After calculating phonon dispersion relations in the
high-temperature tetragonal structure, we identify a soft phonon mode
leading to the monoclinic symmetry and optimize the crystal geometry
resulting from this mode. Thus we reveal a displacive character of the
structural transition with the group-subgroup relation between the tetragonal
and monoclinic phases. We compare the electronic structure of KO with
antiferromagnetic spin order in the tetragonal and monoclinic phases. We
emphasize that realistic treatment of the electronic structure requires
including the local Coulomb interaction in the valence orbitals of the
O ions. The presence of the `Hubbard' leads to the gap opening at the
Fermi energy in the tetragonal structure without orbital order but with weak
spin-orbit interaction. We remark that the gap opening in the tetragonal phase
could also be obtained when the orbital order is initiated in the calculations
with a realistic value of . Finally, we show that the local Coulomb
interactions and the finite lattice distortion, which together lead to the
orbital order via the Jahn-Teller effect, are responsible for the enhanced
insulating gap in the monoclinic structure.Comment: accepted by Physical Review
Spin states and correlations for frustrated magnetic interactions on the honeycomb lattice.
Niniejsza praca magisterska opisuje układ sześciu spinów 1/2 umieszczonych na wierzchołkachsześciokąta foremnego. Jest to najprostszy klaster sieci heksagonalnej.Do obliczeń numerycznych dotyczących powyższego układu zostały zaimplementowane założenia modeli: Heisenberga, Isinga - Kitaeva oraz Kitaeva - Heisenbrga.W pierwszym rozdziale przeanalizowano stany spinowe i funkcje korelacji otrzymane numerycznie dla następujacych modeli Heisenberga, uwzględniających odpowiednio pierwszych,pierwszych i drugich a także pierwszych, drugich i trzecich sąsiadów.W drugim rozdziale opisano pokrótce model Kitaeva oraz pokazano wyniki obliczeń dla modeli Isinga - Kitaeva i Kitaeva - Heisenberga (dla ostatniego z modeli również rozważono trzy wersje zależnie od typów uwzględnianych sąsiadów). W trzecim rozdziale zaprezentowano rezultaty obliczeń w samouzgodnionym średnim polu na zredukowanym klastrze obejmującym pojedynczy heksagon wraz z zewnętrznymi wiązaniami.Następnie podsumowano na jważniejsze wyniki i zasugerowano kierunek dalszych badań. Na końcu pracy umieszczono dodatek matematycznyprezentujący szczegółowo obliczanie komutatora [Sz , H] dla dwóch spinów 1/2.The master thesis presented here describes microscopic system which consists of six spins 1/2.The said spins are placed on vertices of a single hexagon.It is the simplest claster of hexagonal lattice.For numerical calculations purpose we implemented Heisenberg, Ising - Kitaev and Kitaev - Heisenberg models assumptions.First chapter consists of spin states and correlation functions analysis.The quantities mentioned above were obtained in a numerical way, for Heisenberg models which include first, first and second as well as first, second and third neighbors.Second chapter presents shortly Kitaev model. Furthermore it shows the results of Ising - Kitaev and Kitaev - Heisenberg models calculations.Third chapter presents the results of self consistant mean field calculations.These calculations were conducted on a reduced claster which included single hexagon with outher bonds.Lastly we summarized the main results and suggested future research directions.Appendix A shows detailed calculations of [Sz,H] commutator for two spins 1.2
Phase diagram and spin correlations of the Kitaev-Heisenberg model : importance of quantum effects
We explore the phase diagram of the Kitaev-Heisenberg model with nearest neighbor interactions on the honeycomb lattice using the exact diagonalization of finite systems combined with the cluster mean field approximation, and supplemented by the insights from analytic approaches: the linear spin-wave and second-order perturbation theories. This study confirms that by varying the balance between the Heisenberg and Kitaev term, frustrated exchange interactions stabilize in this model either one of four phases with magnetic long range order: Néel phase, ferromagnetic phase, and two other phases with coexisting antiferromagnetic and ferromagnetic bonds, zigzag and stripy phase, or one of two distinct spin-liquid phases. Out of these latter disordered phases, the one with ferromagnetic Kitaev interactions has a substantially broader range of stability as the neighboring competing ordered phases, ferromagnetic and stripy, have very weak quantum fluctuations. Focusing on the quantum spin-liquid phases, we study spatial spin correlations and dynamic spin structure factor of the model by the exact diagonalization technique, and discuss the evolution of gapped low-energy spin response across the quantum phase transitions between the disordered spin liquid and phases with long range magnetic order