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A BEG Hamiltonian is used to model an Ising spin glass with annealed vacancies on a hierarchical lattice. In addition to competing bilinear interactions, repulsive biquadratic interactions on the perimeter of our unit structures compete…

Statistical Mechanics · Physics 2025-01-10 Daniel P. Snowman

We study theoretically the effects of f-d magnetic exchange interaction in the R$_2$Ir$_2$O$_7$ pyrochlore iridates. The R$^{3+}$ f-electrons form localized magnetic doublets due to the crystal field environment, while the Ir$^{4+}$ d-…

Strongly Correlated Electrons · Physics 2013-01-07 Gang Chen , Michael Hermele

We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange interactions in the series of orthorhombic rare-earth…

Materials Science · Physics 2015-04-22 Natalya S. Fedorova , Claude Ederer , Nicola A. Spaldin , Andrea Scaramucci

The nature of order in low-temperature phases of some materials is not directly seen by experiment. Such "hidden orders" (HO) may inspire decades of research to identify the mechanism underlying those exotic states of matter. In insulators,…

Strongly Correlated Electrons · Physics 2021-04-05 Leonid V. Pourovskii , Sergii Khmelevskyi

The quest for exotic quantum magnetic ground states, including the Kitaev spin liquid and quantum spin-ices, has led to the discovery of several quantum materials where low energy pseudospin-$1/2$ doublets arise from the splitting of…

Strongly Correlated Electrons · Physics 2024-03-26 Sreekar Voleti , F David Wandler , Arun Paramekanti

The properties of Mott insulators with orbital degrees of freedom are described by spin-orbital superexchange models, which provide a theoretical framework for understanding their magnetic and optical properties. We introduce such a model…

Strongly Correlated Electrons · Physics 2015-05-19 Andrzej M. Oleś , Peter Horsch

The interactions between charge and orbitally ordered $d$-electrons are important in many transition metal oxides. We propose an effective energy model for such interactions, parameterized with DFT+U calculations, so that energy…

Strongly Correlated Electrons · Physics 2015-11-17 Fei Zhou , Gerbrand Ceder

We analyze the secular evolution of hierarchical triple systems to second-order in the quadrupolar perturbation induced on the inner binary by the distant third body. The Newtonian three-body equations of motion, expanded in powers of the…

Earth and Planetary Astrophysics · Physics 2021-03-10 Clifford M. Will

We study interaction between two magnetic impurities on top of a two dimensional insulator in the presence of chiral phonons by second-order perturbation theory. We show that this exchange interaction arises from angular momentum of phonons…

Mesoscale and Nanoscale Physics · Physics 2025-10-13 Takehito Yokoyama

An orbital ordering occurs in many transition metal compounds with Jahn-Teller ions and plays an important role in these materials. At the same time, exchange interactions in orbitally degenerate systems are inherently frustrated, even in…

Strongly Correlated Electrons · Physics 2009-11-10 Daniel Khomskii , Maxim Mostovoy

The indirect exchange interaction between magnetic impurities located in the bulk of a two-dimensional topological insulator decays exponentially with the distance. The indirect exchange interaction for magnetic impurities mediated by the…

Mesoscale and Nanoscale Physics · Physics 2017-04-05 V. D. Kurilovich , P. D. Kurilovich , I. S. Burmistrov

The role of orbital ordering on metal-insulator transition of transition-metal oxides is investigated by the cluster self-consistent field approach in the strong correlation regime. A clear dependence of the insulating gap on the orbital…

Strongly Correlated Electrons · Physics 2007-09-25 Dong-Meng Chen , Liang-Jian Zou

We develop a strong coupling approach towards quantum magnetism in Mott insulators for Wannier obstructed bands. Despite the lack of Wannier orbitals, electrons can still singly occupy a set of exponentially-localized but nonorthogonal…

Strongly Correlated Electrons · Physics 2025-12-03 Xiao-Yang Huang , Taige Wang , Shang Liu , Hong-Ye Hu , Yi-Zhuang You

A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic structure calculation. Within mean-field approximation,…

Strongly Correlated Electrons · Physics 2014-03-06 Shu-Ting Pi , Ravindra Nanguneri , Sergey Savrasov

Effects of possible orbital order in magnetic properties of two-dimensional spin gap system for CaV$_4$O$_9$ are investigated theoretically. After analyzing experimental data, we show that single orbital models assumed in the literature are…

Strongly Correlated Electrons · Physics 2009-10-30 Nobuyuki Katoh , Masatoshi Imada

Spin correlations in metallic and insulating phases of $V_2O_3$ and its derivatives are investigated using magnetic neutron scattering. Metallic samples have incommensurate spin correlations varying little with hole doping. Paramagnetic…

Strongly Correlated Electrons · Physics 2009-10-28 Wei Bao , C. Broholm , G. Aeppli , P. Dai , J. M. Honig , P. Metcalf

We investigate the metal-to-insulator phase transition driven by the density-density electronic interaction in the quarter-filled model on a cubic lattice with two orbitals split by a crystal field. We show that a systematic consideration…

Strongly Correlated Electrons · Physics 2023-05-30 M. Vandelli , J. Kaufmann , V. Harkov , A. I. Lichtenstein , K. Held , E. A. Stepanov

The origin of non-collinear magnetism under quadrupolar ordering is investigated with CeB6 taken as a target system. The mode-mixing effect among 15 multipoles is analyzed based on the Ginzburg-Landau free energy. Then the lower magnetic…

Strongly Correlated Electrons · Physics 2009-11-07 Hiroaki Kusunose , Yoshio Kuramoto

The origin of non-collinear magnetic order in UO$_{2}$ is studied by an ab initio dynamical-mean-field-theory framework in conjunction with a linear-response approach for evaluating inter-site superexchange interactions between U 5$f^{2}$…

Strongly Correlated Electrons · Physics 2019-04-24 Leonid V. Pourovskii , Sergii Khmelevskyi

Motivated by the widespread experimental observations of nematicity in strongly underdoped cuprate superconductors, we investigate the possibility of enhanced nematic fluctuations in the vicinity of a Mott insulator that displays…

Strongly Correlated Electrons · Physics 2019-04-24 Peter P. Orth , Bhilahari Jeevanesan , Rafael M. Fernandes , Jörg Schmalian