Related papers: The Jahn-Teller effect and spin--orbit coupling: f…
The Hubbard model has been employed successfully to understand many aspects of correlation driven physical properties, in particular, the magnetic order in itenerant electron systems. In some systems such as Heusler alloys, manganites etc.,…
The Jahn-Teller theorem constitutes one of the most popular and stringent concepts, applicable to all fields of chemistry. In open shell transition elements chemistry and physics, 3d4, 3d9, and 3d7(low-spin) configurations in octahedral…
Roles of orbital and lattice degrees of freedom in strongly correlated systems are investigated to understand electronic properties of perovskite Mn oxides such as La_{1-x}Sr_{x}MnO_{3}. An extended double-exchange model containing Coulomb…
We derive an effective Hamiltonian that takes into account the quantum nature of phonons and models cooperative Jahn-Teller effect in the adiabatic regime and at strong electron-phonon coupling in one dimension. Our approach involves…
The dynamical Jahn-Teller effect of C$_{60}^{n-}$ anions ($n = $ 1-5) is studied using the numerical diagonalization of the linear $p^n \otimes 8d$ Jahn-Teller Hamiltonian with the currently established coupling parameters. It is found that…
We investigate the effect of the experimentally observed Jahn-Teller distortion of the oxygen octahedra in LaTiO3 on the magnetic exchange. We present a localized model for the effective hopping between nearest-neighbor Ti ions and the…
The formation of a long-range Jahn-Teller distortion in undoped manganites is studied within the dynamical mean-field theory taking both electron-phonon and electron-electron interactions into account. We find that the observed insulating…
The entanglement of the spin and orbital degrees of freedom through the spin-orbit coupling has been actively studied in condensed matter physics. In several iridium-oxide systems, the spin-orbital entangled state, identified by the…
Jahn--Teller (JT) distortions are a key driver of physical properties in many correlated oxide materials. Cooperative JT distortions, in which long-range orbital order reduces the symmetry of the average structure macroscopically, are…
A unified theory is developed to explain various types of electronic collective behaviors in doped manganites R$_{1-x}$X$_x$MnO$_3$ (R = La, Pr,Nd etc. and X = Ca, Sr, Ba etc.). Starting from a realistic electronic model, we derive an…
Three high-spin phases recently discovered in the spin-crossover system Mn(taa) are identified through analysis by a combination of first-principles calculations and Monte Carlo simulation as a low-temperature Jahn-Teller ordered (solid)…
We investigate the evolution of spin and orbital order in undoped LaMnO$_3$ under increasing temperature with a model including both superexchange and Jahn-Teller interactions. We used several cluster mean field calculation schemes and find…
Ordering and quantum fluctuations of orbital degrees of freedom are studied theoretically for LaVO$_3$ in spin-C-type antiferromagnetic state. The effective Hamiltonian for the orbital pseudospin shows strong one-dimensional anisotropy due…
The interplay between spin and orbital degrees of freedom gives rise to a variety of emergent phases in correlated 4d and 5d transition-metal systems. Strong spin-orbit coupling (SOC) significantly alters Jahn-Teller (JT) physics, often…
Roles of Coulomb interaction, orbital degeneracy and Jahn-Teller coupling in double-exchange models are examined for Mn perovskite oxides. We study the undoped Mott insulator as well as metal-insulator transitions by hole doping, and…
We study the effects of magnetoelastic coupling on the degenerate ground state of the spin-1/2 antiferromagnetic Heisenberg model for the regular triangular spin cluster. Static displacement of spins spontaneously lifts the degeneracy of…
The origin of the cooperative Jahn-Teller distortion and orbital-order in LaMnO3 is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and GdFeO3-type distortions and the strong…
We extend our recent work on the cavity-modified spin Zeeman effect of an effective spin-1/2-system[J. Chem. Phys. 163, 174307 (2025)] to a relativistic Jahn-Teller scenario under strong light-matter coupling. Here, the effective…
We theoretically explore the possibility of creating spin quantum entanglement in a system of two electrons confined respectively in two vertically coupled quantum dots in the presence of Rashba type spin-orbit coupling. We find that the…
We calculate the magnetic susceptibility and g-factor of the isolated C_{60}^- ion at zero temperature, with a proper treatment of the dynamical Jahn-Teller effect, and of the associated orbital angular momentum, Ham-reduced gyromagnetic…