Related papers: Realistic Modeling of Complex Oxide Materials
Weakly interacting Fermi gases exhibit rich collective dynamics in spin-dependent potentials, arising from correlations between spin degrees of freedom and conserved single atom energies, offering broad prospects for simulating many-body…
The development of novel functional materials in experimental labs combined with computer-based compound simulation brings the vision of materials design on a microscopic scale continuously closer to reality. For many applications interface…
Using projector augmented wave approach within the generalized gradient approximation, we have studied the structural property and electronic structure of ZrB12. The calculated lattice constants and bulk modulus are in good agreement with…
We present a model for quark matter with a density dependent quark-quark (confining) potential, which allows to describe a deconfinement phase transition as the system evolves from a low density assembly of bound structures to a high…
When a magnetic field confines the carriers of a Fermi sea to their lowest Landau level, electron-electron interactions are expected to play a significant role in determining the electronic ground state. Graphite is known to host a sequence…
We study the effect of electron-electron interaction on the one-particle density of states (\emph{DOS}) $\rho^{(d)}(\epsilon,T)$ of low-dimensional disordered metals near Fermi energy within the framework of the finite temperature…
Motivated by experimental progress in the growth of heavy transition metal oxides, we theoretically study a class of lattice models of interacting fermions with strong spin-orbit coupling. Focusing on interactions of intermediate strength,…
Density functional plus dynamical mean field calculations are used to show that in transition metal oxides, rotational and tilting (GdFeO$_3$-type) distortions of the ideal cubic perovskite structure produce a multiplicity of low-energy…
The electronic structure, Fermi surface and elastic properties of the iso-structural and iso-electronic LaSn$_3$ and YSn$_3$ intermetallic compounds are studied under pressure within the framework of density functional theory including…
Three driving forces control the energy level alignment between transition-metal oxides and organic materials: the chemical interaction between the two materials, the organic electronegativity and the possible space charge layer formed in…
The low temperature dependence of the spin and charge susceptibilities of an anisotropic electron system in two dimensions is analyzed. It is shown that the presence of inflection points at the Fermi surface leads, generically, to a $ T…
We propose a model intended to qualitatively capture the electron-electron interaction physics of two-dimensional electron gases formed near transition-metal oxide heterojunctions containing $t_{2g}$ electrons with a density much smaller…
First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…
The shandite structure hosts transition metal ions arranged in kagome layers. These layers are stacked rhombohedrally and are interspersed with post-transition metal ions and chalcogens. The electronic states near the Fermi level are…
The (SrTiO$_3$)$_m$/(SrVO$_3$)$_n$ $d^0-d^1$ multilayer system is studied with first principles methods through the observed insulator-to-metal transition with increasing thickness of the SrVO$_3$ layer. When correlation effects with…
A heavy-fermion paramagnet UTe$_2$ has been a strong candidate for a spin-triplet superconductor. Experiments on UTe$_2$ under pressure have been vigorously conducted, and rich phase diagrams have been suggested. Multiple superconducting…
This paper is concerned with the weak-moment magnetism in heavy-fermion materials and its relation to the non-Fermi liquid physics observed near the transition to the Fermi liquid. We explore the hypothesis that the primary fluctuations…
Paralleling a previous paper, we examine single- and many-body states of relativistic electrons in an intense, rotating magnetic dipole field. Single-body orbitals are derived semiclassically and then applied to the many-body case via the…
I discuss the behaviour of Group 1 and 2 elements under pressure, describing crystallography based on diamond anvil pressure cell experiments and electronic structure calculations. In addition to these precise methods, we discuss more…
We discuss examples of two dimensional metallic states with charge fractionalization, and we will demonstrate that the mechanism of charge fractionalization leads to exotic metallic behaviors at low and intermediate temperature. The…