Related papers: Multipolar ordering from dynamical mean field theo…
An approach is proposed for evaluating dipolar and multipolar inter-site interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic…
Magnetic ordering phenomena in CexPr1-xB6 solid solutions have been studied using both powder and single-crystal neutron diffraction. A variety of magnetic structures are observed depending on temperature and Ce concentration. Over a broad…
Despite more than half a century of studies in heavy-fermion compounds, a full understanding of the various possible magnetic ordering phenomena is still far from complete. Some heavy-fermion materials show so-called hidden-order phases,…
Multipolar magnetic phases in correlated insulators represent a great challenge for Density Functional Theory (DFT) due to the coexistence of intermingled interactions, typically spin-orbit coupling, crystal field and complex non-collinear…
Materials with correlated electrons often respond very strongly to external or internal influences, leading to instabilities and states of matter with broken symmetry. This behavior can be studied theoretically either by evaluating the…
We present the implementation of Dynamical Mean-Field Theory (DMFT) in the CASTEP \emph{ab-initio} code. We explain in detail the theoretical framework for DFT+DMFT and we demonstrate our implementation for three strongly-correlated systems…
Phases that go beyond dipolar ordering and into multipolar ordering have recently been observed in magneto-electric materials. The resulting phase diagram is commonly explained using the concept of competing orders and exact microscopic…
We discuss the role of dynamical many-electron effects in the physics of iron and iron-rich solid alloys under applied pressure on the basis of recent ab initio studies employing the dynamical mean-field theory (DMFT). Electronic…
We analyze the nature of Mott metal-insulator transition in multiorbital systems using dynamical mean-field theory (DMFT). The auxiliary multiorbital quantum impurity problem is solved using continuous time quantum Monte Carlo (CTQMC) and…
In contrast to magnetic order formed by electrons' dipolar moments, ordering phenomena associated with higher-order multipoles (quadrupoles, octupoles, etc.) are more difficult to characterize because of the limited choice of experimental…
In heavy fermion systems, multipole degrees of freedom make possible the emergence of rich phenomena, such as hidden orders and superconductivities. However, many of them remain unsolved since the origin of higher-rank multipole interaction…
We study finite-temperature magnetic phases of three-component mixtures of ultracold fermions with repulsive interactions in optical lattices with simple cubic or square geometry by means of dynamical mean-field theory (DMFT). We focus on…
Cerium-hexaboride (CeB$_6$) f-electron compound displays a rich array of low-temperature magnetic phenomena, including `magnetically hidden' order, identified as multipolar in origin via advanced x-ray scattering. From first-principles…
The heavy-fermion superconductor CeRh2As2 exhibits a non-superconducting phase transition that precedes the emergence of superconductivity. The nature of the corresponding order parameter remains under debate, with competing proposals…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
We establish a way to handle main collective fluctuations in correlated quantum systems based on a Fluctuation Local Field concept. This technique goes beyond standard mean-field approaches, such as Hartree-Fock and dynamical mean-field…
The microscopic origin of metamagnetism and metamagnetic transitions in strongly anisotropic antiferromagnets is investigated within a quantum mechanical theory of correlated electrons. To this end the Hubbard model with staggered…
We investigate effects of multipole moments in f-electron systems both from phenomenological and microscopic viewpoints. First, we discuss significant effects of octupole moment on the magnetic susceptibility in a paramagnetic phase. It is…
Few examples of magnetic systems displaying a transition to pure dipolar magnetic order are known to date, and single-molecule magnets can provide an interesting example. The molecular cluster spins and thus their dipolar interaction energy…
We investigate microscopic aspects of multipole ordering in f-electron systems with emphasis on the effect of lattice structure. For the purpose, first we construct f-electron models on three kinds of lattices, simple cubic (sc), bcc, and…