Related papers: Strongly correlated altermagnet CaCrO$_3$
Developing a comprehensive magnetic theory for correlated itinerant magnets poses challenges due to the difficulty in reconciling both local moments and itinerant electrons. In this work, we investigate the microscopic process of magnetic…
Kagome metals are prone to charge-density wave (CDW), magnetic, and superconducting phases, with their flat electronic band conducive for correlated physics. In contrast to the weakly correlated $A$V$_3$Sb$_5$ ($A$ = K, Rb, Cs) kagome…
The interplay between band and atomic aspects in materials with co-existing wide-band and flat-band states, or wide-band and effectively dispersionless electronic states is increasingly expected to lead to novel behavior. Using dynamical…
By means of density functional theory plus dynamical mean-field theory (DFT+DMFT), we investigate the correlated electronic structures of La$_3$Ni$_2$O$_7$ under high pressure. Our calculations show that La$_3$Ni$_2$O$_7$ is a multi-orbital…
In this thesis we study the strongly-correlated-electron physics of the longstanding H-Tc-superconductivity problem using a non-perturbative method, the Dynamical Mean Field Theory (DMFT), capable to go beyond standard perturbation-theory…
Ab initio calculation of the electronic properties of materials is a major challenge for solid state theory. Whereas the experience of forty years has proven density functional theory (DFT) in a suitable, e.g. local approximation (LDA) to…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
Correlated flat bands and altermagnetism are two important directions in quantum materials, centred respectively on interaction-dominated phases and symmetry-enforced spin-textured states, yet both derive from lattice symmetry and orbital…
Flat-bands induced by destructive interference of hoppings in frustrated lattices such as kagome metals, have been extensively studied in recent years. However, such flat-bands usually appear in small portions of Brillouin zone and are away…
Altermagnetism is a novel magnetic phase combining characteristics of both antiferromagnetism and ferromagnetic ordering. Despite growing theoretical interest in altermagnetic materials, reports of experimentally verified high Neel…
Electronic flat bands associated with quenched kinetic energy and heavy electron mass have attracted great interest for promoting strong electronic correlations and emergent phenomena such as high-temperature charge fractionalization and…
A comparative density functional plus dynamical mean field theory study of the pseudocubic ruthenate materials CaRuO$_3$ and SrRuO$_3$ is presented. Phase diagrams are determined for both materials as a function of Hubbard repulsion $U$ and…
Recently, the most intensely studied objects in the electronic theory of solids have been strongly correlated systems and graphene. However, the fact that the Dirac bands in graphene are made up of $sp^{2}$-electrons, which are subject to…
We have investigated the temperature (T)-dependent evolution of electronic structures and magnetic properties of an itinerant ferromagnet SrRuO3, employing the combined scheme of the density functional theory and the dynamical mean-field…
Altermagnets (AM) are a novel class of magnetic materials with zero net magnetization but broken time-reversal symmetry and spin-split bands exceeding the spin-orbit coupling scale, offering unique control of individual spin-channel and…
The electronic and magnetic structures of A2CrN3 (A = Ce, U) ternary compounds calculated based on band magnetism within DFT exhibit different behaviors of the nf elements (n = 4, 5 resp.). Charge analysis allows to formally express the two…
The CsCr$_3$Sb$_5$ exhibits superconductivity in close proximity to a density-wave (DW) like ground state at ambient pressure\cite{Liu:2024aa}, however details of the DW is still elusive. Using first-principles density-functional…
Several new aspects of the subtle interplay between electronic correlations and disorder are reviewed. First, the dynamical mean-field theory (DMFT)together with the geometrically averaged ("typical") local density of states is employed to…
As the only semimetallic $d^{10}$-based delafossite, AgNiO$_2$ has received a great deal of attention due to both its unique semimetallicity and its antiferromagnetism in the NiO$_2$ layer that is coupled with a lattice distortion. In…
Complex magneto structural behaviour of rare rich intermetallic Tb$_3$Co is reported in this study. Below the 84K (T$_N$), it undergoes a first order magnetic transition 72K confirmed from specific heat and magnetization measurements.…