Related papers: Effects of "stuffing" on the atomic and electronic…
The influence of a staggered molecular field in frustrated rare-earth pyrochlores, produced via the magnetic iridium occupying the transition metal site, can generate exotic ground states, such as the fragmentation of the magnetization in…
Solid-solutions of the "soft" quantum spin ice pyrochlore magnets Tb2B2O7 with B=Ti and Sn display a novel magnetic ground state in the presence of strong B-site disorder, characterized by a low susceptibility and strong spin fluctuations…
In this article we report the structural stability of Er$_2$Ti$_2$O$_7$ cubic pyrochlore with pressure using x-ray diffraction, Raman spectroscopy, photoluminescence, x-ray absorption and ab-initio calculations. Our studies establish a…
We have synthesized a new intermetallic compound with a distorted Heusler structure, YbRh$_{2}$Pb. We present a study of the magnetic, thermal, and transport properties. Heat capacity measurements revealed that YbRh$_{2}$Pb orders…
We report the low temperature magnetic properties of Ce$_2$Sn$_2$O$_7$, a rare-earth pyrochlore. Our susceptibility and magnetization measurements show that due to the thermal isolation of a Kramers doublet ground state, Ce$_2$Sn$_2$O$_7$…
Rare-earth doped crystals have long coherence times and the potential to provide quantum interfaces between microwave and optical photons. Such applications benefit from a high cooperativity between the spin ensemble and a microwave cavity…
A hidden order that emerges in the frustrated pyrochlore Tb$_{2+x}$Ti$_{2-x}$O$_{7+y}$ with $T_{\text{c}}=0.53$ K is studied using specific heat, magnetization, and neutron scattering experiments on a high-quality single crystal.…
While the spin liquid state in the frustrated pyrochlore Tb$_{2+x}$Ti$_{2-x}$O$_{7+y}$ has been studied both experimentally and theoretically for more than two decades, no definite description of this unconventional state has been achieved.…
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…
First principles density functional calculations for Fe$_{2}$O$_{3}$ has been performed over a wide range of pressures. The ground state is corundum-type hematite and is an antiferromagnetic insulator. This is in good agreement with…
Emergence of novel quantum ground states in correlated electron systems with strong spin-orbit coupling has been a recent subject of intensive studies. While it has been realized that spin-orbit coupling can provide non-trivial band…
The crystal structure of Lanthanum Cerium Oxide (La$_2$Ce$_2$O$_7$) is investigated using \textit{ab initio} density functional theory (DFT) calculations. The relative stability of fluorite- and pyrochlore-like structures is studied through…
We present here magnetization, specific heat and Raman studies on single-crystalline specimens of the first pyrochlore member $Sm_2Ti_2O_7$ of the rare-earth titanate series. Its analogous compound $Sm_2Zr_2O_7$ in the rare-earth zirconate…
Ba3Yb2Zn5O11 is unique among breathing pyrochlore compounds for being in the nearly decoupled limit where inter-tetrahedron interactions are weak, hosting isolated clusters or "molecular magnet" like tetrahedra of magnetic ytterbium (Yb3+)…
In this work, we study the influence of disorder on the electronic structure of YbSb -- a rare-earth monopnictide featuring a simple rock-salt (B1) crystal structure and a well-defined Fermi surface topology -- by employing first-principles…
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…
Motivated by recent experimental and theoretical progress on the Er2Ti2O7 pyrochlore XY antiferromagnet, we study the problem of quantum order-by-disorder in pyrochlore XY systems. We consider the most general nearest-neighbor pseudo…
Understanding the response of ceramics operating in extreme environments is of interest for a variety of applications. Ab initio molecular dynamic simulations have been used to investigate the effect of structure and $B$-site (=Ti, Zr)…
The pyrochlore materials have long been predicted to harbor a quantum spin liquid, an intrinsic long-range-entangled state supporting fractionalized excitations. Existing pyrochlore experiments, on the other hand, have discovered several…
The spin states and electronic structure of layered perovskite La1.5Ca0.5CoO4 are investigated using fullpotential linearized augmented plane-wave method. All the computational results indicate that the Co2+ ion is in a high-spin state and…