Related papers: First-principles studies of spin-orbital physics i…
Insulating magnetic rare-earth pyrochlores related to spin ice host emergent bosonic monopolar spinons, which obey a magnetic analogue of quantum electrodynamics and may open a route to a magnetic analogue of electronics. However, the…
The pyrochlore lattice is associated with several potential and actual spin liquid phases as a result of its strong geometric frustration. At finite temperature, these can exhibit an unusually broad cross-over regime to a conventional…
A novel general method of describing the spin-lattice interactions in magnetic solids was proposed in terms of first principles calculations. The spin exchange and Dzyaloshinskii-Moriya interactions as well as their derivatives with respect…
Spin-orbit coupling is a single-particle phenomenon known to generate topological order, and electron-electron interactions cause ordered many-body phases to exist. The rich interplay of these two mechanisms is present in a broad range of…
Transition-metal ions with $5d^2$ electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical…
We have investigated the electronic structure of rare-earth tetraborides, $\textrm{RB}_{4}$, using first-principle electronic structure methods (DFT) implemented in Quantum Espresso (QE). In this article we have studied heather-to neglected…
Angle-resolved photoemission measurements have been performed on Bi2Ir2O7 single crystals, a prototypical example of the pyrochlore iridates. The density of states, the Fermi surface, and the near Fermi level band dispersion in the plane…
In frustrated magnetic systems, geometric constraints or the competition amongst interactions introduce extremely high degeneracy and prevent the system from readily selecting a low-temperature ground state. The most frustrated known spin…
We study theoretically the electronic states in a $5d$ transition metal oxide Na$_2$IrO$_3$, in which both the spin-orbit interaction and the electron correlation play crucial roles. Tight-binding model analysis together with the…
The spin, charge, and lattice degrees of freedom and their interplay in high entropy oxides were intensively investigated in recent years. However, how the orbital degree of freedom is affected by the extreme disorder in high entropy oxides…
The magnetic and electronic properties of Eu2Ru2O7 are discussed in terms of the local ruthenium and europium coordinations, electronic band structure calculations and molecular orbital energy levels. A preliminary electronic structure was…
We investigate the influence of spin-orbit coupling $\lambda$ in strongly-correlated multiorbital systems that we describe by a three-orbital Hubbard-Kanamori model on a Bethe lattice. We solve the problem at all integer fillings $N$ with…
A 2D square, two-bands, strongly correlated and non-integrable system is analysed exactly in the presence of many-body spin-orbit interactions via the method of Positive Semidefinite Operators. The deduced exact ground states in the high…
Spin-orbit coupling (SOC) plays an important role in determining the structural and electronic properties of recently proposed two-dimensional planar pentagonal materials. In this work, density functional theory calculations are employed to…
Frustration in spin system can give rise to unique ordered states and as a consequence several physical phenomena are expected such as multiferroics, high temperature superconductors and anomalous hall effect. Here we report the "new…
We make detailed analysis of each possible spin-orbit coupling of zincblende narrow-gap cylindrical quantum dots built in two-dimensional electron gas. These couplings are related to both bulk (Dresselhaus) and structure (Rashba) inversion…
We theoretically study a multi-band Hubbard model of pyrochlore oxides of the form A$_2$B$_2$O$_7$, where B is a heavy transition metal ion with strong spin-orbit coupling, in a thin film geometry orientated along the [111] direction. Along…
Metal-insulator transitions in pyrochlore iridates (A2Ir2O7) are believed to occur due to subtle interplay of spin-orbit coupling, geometric frustration, and electron interactions. In particular, the nature of magnetic ordering of iridium…
Physical properties of a pyrohafnate compound Pr2Hf2O7 have been investigated by ac magnetic susceptibility \chi_ ac(T), dc magnetic susceptibility \chi(T), isothermal magnetization M(H) and heat capacity C_p(T) measurements on…
Spin-state ordering - a periodic pattern of ions with different spin-state configurations along a crystal lattice - is a rare phenomenon, and its possible interrelation with other electronic degrees of freedom remains little explored. Here…