Related papers: Inverse pressure-induced Mott transition in TiPO$_…
We report the structural and magnetic properties of four-layer Aurivillius compound Bi$_5$FeTi$_3$O$_{15}$ (BFTO) at high hydrostatic pressure conditions. The high-pressure XRD data does not explicitly show structural phase transitions with…
We provide the first unbiased evidence for a higher-order topological Mott insulator in three dimensions by numerically exact quantum Monte Carlo simulations. This insulating phase is adiabatically connected to a third-order topological…
We report the discovery of a metamagnetic phase transition in a polar antiferromagnet Ni$_3$TeO$_6$ that occurs at 52 T. The new phase transition accompanies a colossal magnetoelectric effect, with a magnetic-field-induced polarization…
The insulator-metal transition in Mott insulators, known as the Mott transition, is usually accompanied with various novel quantum phenomena, such as unconventional superconductivity, non-Fermi liquid behavior and colossal…
We determine the electronic structure and phase stability of paramagnetic V$_2$O$_3$ at the Mott-Hubbard metal-insulator phase transition, by employing a combination of an ab initio method for calculating band structures with dynamical…
The electronic property and magnetic susceptibility of Ce$_3$Pd$_3$Bi$_4$ were systemically investigated from 18 K to 290 K for varying values of cell-volume using dynamic mean-field theory coupled with density functional theory. By…
Transition metal phosphorous trichalcogenides, $M{\rm P}X_3$ ($M$ and $X$ being transition metal and chalcogen elements respectively), have been the focus of substantial interest recently because of their possible magnetism in the…
Mott metal-insulator transitions possess electronic, magnetic, and structural degrees of freedom promising next generation energy-efficient electronics. We report a previously unknown, hierarchically ordered state during a Mott transition…
High pressure in-situ synchrotron X-ray diffraction experiments were performed on Ag2Te up to 42.6 GPa at room temperature and four phases were identified. Phase I ({\beta}-Ag2Te) transformed into phase II at 2.4 GPa, and phase III and…
We have carried out a detailed first-principles study of a d$^{4.5}$ quaternary iridate Ba$_3$YIr$_2$O$_9$ both in its 6H-perovskite-type ambient pressure (AP) phase and also for the high pressure (HP) cubic phase. Our analysis reveals that…
While $\sim$30% of materials are reported to be topological, topological insulators are rare. Magnetic topological insulators (MTI) are even harder to find. Identifying crystallographic features that can host the coexistence of a…
NiPSe3 is regarded as a bandwidth-controlled Mott insulator, distinct from the widely studied Mott insulating magnetic graphene MPSe3 (M = Mn and Fe) family. By employing high-pressure synchrotron X-ray diffraction, we observe two…
Electronic structure calculations on the low dimensional spin-1/2 compound TiOCl were performed at several pressures in the orthorhombic phase, finding that the structure is quasi-one-dimensional. The Ti3+ (d1) ions have one t2g orbital…
Superconductivity and topological quantum states are two frontier fields of research in modern condensed matter physics. The realization of superconductivity in topological materials is highly desired, however, superconductivity in such…
The layered 5d transition metal oxides like Sr2IrO4 have attracted significant interest recently due to a number of exotic and new phenomena induced by the interplay between the spin-orbit coupling, bandwidth W and on-site Coulomb…
Recent experiments showed the distinct observations on the transition metal ditelluride NiTe$_2$ under pressure: one reported a superconducting phase transition at 12 GPa, whereas another observed a sign reversal of Hall resistivity at 16…
Recent contrasting observations for halogen (X)-bridged binuclear platinum complexes R_4[Pt_2(P_2O_5H_2)_4X]nH_2O, that is, pressure-induced Peierls and reverse Peierls instabilities, are explained by finite-temperature Hartree-Fock…
We used femtosecond optical spectroscopy to study ultrafast spin and orbital ordering dynamics in the antiferromagnetic Mott insulator $\alpha$-Sr$_2$CrO$_4$. This chromate system possesses multiple spin and orbital ordered phases, and…
We study the electronic structure, magnetic state, and phase stability of paramagnetic BiNiO$_3$ near a pressure-induced Mott insulator-to-metal transition (MIT) by employing a combination of density functional and dynamical mean-field…
We show that the interplay of strong Hubbard interaction $U$ and spin-orbit coupling $\lambda$ in systems with $d^4$ electronic configuration leads to several unusual magnetic phases. Most notably, we find that competition between…