Related papers: First-principles study on cubic pyrochlore iridate…
Using resonant magnetic x-ray scattering we address the unresolved nature of the magnetic groundstate and the low-energy effective Hamiltonian of Sm$_2$Ir$_2$O$_7$, a prototypical pyrochlore iridate with a finite temperature metal-insulator…
We report experimental signatures of topological transitions among the Weyl semimetal states of pyrochlore Pr2Ir2O7, where the Kondo coupling between the Ir topological electrons and the spin-ice like orders of Pr moments plays a decisive…
The mechanism behind superconductivity suppression induced by Pr substitutions in YBa$_2$Cu$_3$O$_{7-\delta}$ (YBCO) has been a mystery since its discovery: in spite of being isovalent to Y$^{3+}$ with a small magnetic moment, it is the…
Non-Fermi liquid behavior in some fermionic systems have attracted significant interest in last few decades. Certain pyrochlore iridates with stronger spin-orbit coupling strength have recently been added to the list. Here, we provide…
The local electronic structure of YBa2Cu3O7 has been calculated using first-principles cluster methods. Several clusters embedded in an appropriate background potential have been investigated. The electric field gradients at the copper and…
We report results of NMR experiments on the ruthenium oxide Hg2Ru2O7 with the pyrochlore structure, which exhibits a metal-insulator transition at TMI = 107 K. In the metallic phase above TMI, the nuclear spin-lattice relaxation rate 1/T1…
The nearly well-ordered double perovskite La$_2$CrFeO$_6$ has been synthesized recently. Contrary to previous theoretical predictions, but in agreement with experimental observations, our first principle calculations indicate an insulating…
The recent discoveries of proximate quantum spin-liquid compounds and their potential application in quantum computing informs the search for new candidate materials for quantum spin-ice and spin-liquid physics. While the majority of such…
We address the concomitant metal-insulator transition (MIT) and antiferromagnetic ordering in the novel pyrochlore iridate Eu2Ir2O7 by combining x-ray absorption spectroscopy, x-ray and neutron diffractions and density functional theory…
Although materials that exhibit nearest-neighbor-only antiferromagnetic interactions and geometrical frustration theoretically should not magnetically order in the absence of disorder, few such systems have been observed experimentally. One…
First-principles calculations with the full-potential linearized augmented plane-wave (FP-LAPW) method have been performed to investigate detailed electronic and linear optical properties of Sr$_{2}$CuO$_{2}$Cl$_{2}$, which is a classical…
The frustrated pyrochlore iridate Pr$_2$Ir$_2$O$_7$ was proposed as a metallic quantum spin liquid located at a zero-field quantum critical point. Here we present the ultralow-temperature thermal conductivity measurements on the…
On experimental side, BaFe$_2$As$_2$ without doping has been made superconducting by applying appropriate pressure (2-6 GPa). Here, we use a full-potential linearized augmented plane wave method within the density-functional theory to…
In contrast to the "Pr-issue" that neither PrBa2Cu3O7 (Pr123) nor PrBa2Cu4O8 (Pr124) shows superconductivity (SC), we have observed 100%-fraction of SC in an oxygen-reduced Pr2Ba4Cu7O(15-delta) (Pr247) which has a hybrid structure that…
Results of the nuclear resonance experiments for the planar Cu sites in PrBa2Cu4O8 are presented. The NMR spectrum at 1.5 K in zero magnetic field revealed an internal field of 6.1 T, providing evidence for an antiferromagnetic order of the…
Transition metal oxides of the $4d$ and $5d$ block have recently become the targets of materials discovery, largely due to their strong spin-orbit coupling that can generate exotic magnetic and electronic states. Here we report the high…
Band structure calculations for Ba_2Cu_3O_4Cl_2 within the local density approximation (LDA) are presented. The investigated compound is similar to the antiferromagnetic parent compounds of cuprate superconductors but contains additional…
Layered perovskite iridates realize a rare class of Mott insulators that are predicted to be strongly spin-orbit coupled analogues of the parent state of cuprate high-temperature superconductors. Recent discoveries of pseudogap, magnetic…
Motivated by recent experiments and computational results on pyrochlore iridates, we compare single-particle properties of Y2Ir2O7 obtained from single-site dynamical mean-field calculations with results within the TRILEX approximation,…
The pyrochlore Eu$_2$Ir$_2$O$_7$ has recently attracted significant attention as a candidate Weyl semimetal. The previous reports on this compound unanimously show a thermally induced metal to insulator (MI) transition, concomitant with…