Related papers: Coexisting Z-type charge and bond order in metalli…
The interplay of charge, spin, and lattice degrees of freedom in matter leads to various forms of ordered states through phase transitions. An important subclass of these phenomena of complex materials is charge ordering (CO), mainly driven…
Exotic quantum states arise from the interplay of various degrees of freedom such as charge, spin, orbital, and lattice. Recently, a novel short-ranged charge order (CO) was discovered deep inside the antiferromagnetic phase of Kagome…
Motivated by the experiments on the organic compound $(Per)_{2}[Pt(mnt)_{2}]$, we study the ground state of the one-dimensional Kondo lattice model at quarter filling with the density matrix renormalization group method. We show a coupled…
The low and high-temperature phases of V$_4$O$_7$ have been studied by \textit{ab initio} calculations. At high temperature, all V atoms are electronically equivalent and the material is metallic. Charge and orbital ordering, associated…
We show that the valence electrons of Ba3NaRu2O9, which has a quasi-molecular structure, completely crystallize below 210 K. Using an extended Hubbard model, we show that the charge ordering instability results from long-range Coulomb…
The appearance of spontaneous charge order in chemical systems is often associated with the emergence of novel, and useful, properties. Here we show through single crystal diffraction that the Eu ions in the mixed valent metal EuPd$_3$S$_4$…
We report the synthesis of novel edge-sharing chain systems Na(3)Cu(2)O(4) and Na(8)Cu(5)O(10), which form insulating states with commensurate charge order. We identify these systems as one-dimensional Wigner lattices, where the charge…
X-ray and electron diffraction measurements on the metal-insulator (M-I) transition compound PrRu$_4$P$_{12}$ have revealed the emergence of a periodic ordering of charge density around the Pr atoms. It is found that the ordering is…
Raman scattering studies of the frustrated spin chain system LiCu$_{2}$O$_{2}$ are reported. Two transitions into a magnetically ordered phase (taken place at temperatures $\sim$ 9 K and $\sim$ 24 K) have been confirmed from the analysis of…
We apply the Dynamical Mean Field Theory to the problem of charge ordering. In the normal state as well as in the Charge Ordered (CO) state the existence of polarons, i.e. electrons strongly coupled to local lattice deformation, is…
We investigate theoretically charge ordered states on the anisotropic triangular lattice characteristic of the theta-(BEDT-TTF)_2 X materials. Using exact diagonalization studies, we establish that the charge order (CO) pattern corresponds…
The kagome lattice is an intriguing and rich platform for discovering, tuning and understanding the diverse phases of quantum matter, which is a necessary premise for utilizing quantum materials in all areas of modern and future electronics…
The ordering of Na ions in Na$_x$CoO$_2$ is investigated systematically by combining detailed density functional theory (DFT) studies with model calculations. Various ground state ordering patterns are identified, and they are in excellent…
The possibility of charge order is theoretically examined for the Kondo lattice model in two dimensions, which does not include bare repulsive interactions. Using two complementary numerical methods, we find that charge order appears at…
Ab initio band theory including correlations due to intra-atomic repulsion is applied to study charge disproportionation and charge- and spin-ordering in insulating Na$_{0.5}$CoO$_2$. Various ordering patterns (zigzag and two striped) for…
Quantum entanglement effects between the electronic spin and charge degrees of freedom are examined in an organic molecular solid, termed a dimer-Mott insulating system, in which molecular dimers are arranged in a crystal as fundamental…
We have utilized neutron powder diffraction to probe the crystal structure of layered Na$_{x}$CoO$_{2}$ near the half doping composition of $x=$0.46 over the temperature range of 2 to 600K. Our measurements show evidence of a dynamic…
First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of…
Multiple functional ionic and electronic orders are observed in high temperature superconducting cuprates. The charge density wave order is one of them and it is spatially localized in spatial regions of the material. It is also known that…
Theoretical studies on charge ordering phenomena in quarter-filled molecular (organic) conductors are reviewed. Extended Hubbard models including not only the on-site but also the inter-site Coulomb repulsion are constructed in a…