Related papers: Charge order and spin-singlet pairs formation in T…
Charge ordering in the low-temperature monoclinic structure of iron oxoborate (Fe2OBO3) is investigated using the local spin density approximation (LSDA)+U method. While the difference between t_{2g} minority occupancies of Fe^{2+} and…
Charge and orbital ordering in the low-temperature monoclinic structure of magnetite (Fe_3O_4) is investigated using LSDA+U. While the difference between t_{2g} minority occupancies of Fe^{2+}_B and Fe^{3+}_B cations is large and gives…
Electronic structure of NdNiO3 and YNiO3 are calculated by using LSDA+U method with rotational invariance. No orbital order on Ni sites is observed in both systems but different charge orderings. In a small distorting system NdNiO3, all Ni…
Charge and spin order is intimately related to superconductivity in copper oxide superconductors. To elucidate the competing orders in various nickel oxide compounds are crucial given the fact that superconductivity has been discovered in…
The metal-insulator transition of the Magneli phase Ti4O7 is studied by means of augmented spherical wave (ASW) electronic structure calculations as based on density functional theory and the local density approximation. The results show…
We performed STM/STS measurements on underdoped Bi2212 crystals with doping levels p ~ 0.11, ~ 0.13 and ~ 0.14 to examine the nature of the nondispersive 4a X 4a charge order in the superconducting state at T << Tc. The charge order appears…
We report a ground state with strongly coupled magnetic and charge density wave orders mediated via orbital ordering in the layered compound \tbt. In addition to the commensurate antiferromagnetic (AFM) and charge density wave (CDW) orders,…
Different types of order are discussed in the context of strongly correlated transition metal oxides, involving pure compounds and $3d^{3}-4d^{4}$ and $3d^{2}-4d^{4}$ hybrids. Apart from standard, long-range spin and orbital orders we…
We present electron spin resonance data of Ti$^{3+}$ (3$d^1$) ions in single crystals of the novel layered quantum spin magnet TiOCl. The analysis of the g tensor yields direct evidence that the d_{xy} orbital from the t_{2g} set is…
Combining macroscopic and diffraction methods we have studied the electric, magnetic and struc- tural properties of RE_(1-x)Ca_xTiO_3 (RE=Y, Er, Lu) focusing on the concentration range near the metal-insulator transition. The insulating…
We have analyzed the experimental evidence of charge and orbital ordering in La0.5Sr1.5MnO4 using first principles band structure calculations. Our results suggest the presence of two types of Mn sites in the system. One of the Mn sites…
Evolution of composite spin-orbital order and coupled spin-orbital excitations is studied in a variety of $d^4$ systems with $n$=$4$ electrons in the $t_{2g}$ orbital sector using the generalised self-consistent + fluctuations approach for…
The low-temperature electronic and magnetic properties of NH$_4$V$_2$O$_5$, an isoelectronic analog of the spin-ladder compound $\alpha'$-NaV$_2$O$_5$, are investigated using DFT+$U$ calculations. Two charge-ordering patterns - zigzag and…
Charge order is a central feature of the physics of cuprate superconductors and is known to arise from a modulation of holes with primarily oxygen character. Low-valence nickelate superconductors also host charge order, but the electronic…
Trilayer nickelates, which exhibit a high degree of orbital polarization combined with an electron count (d8.67) corresponding to overdoped cuprates, have been identified as a promising candidate platform for achieving high-Tc…
It was recently discovered that in spite of the scalar nature of its order parameter, the charge order in 1T-TiSe2 can be chiral. This is made possible by the emergence of orbital order in conjunction with the charge density modulations.…
We have investigated the charge and spin ordering in Nd{1/3}Sr{2/3}FeO{3} with neutron diffraction technique. This sample undergoes a charge ordering transition accompanying charge disproportionation of 2Fe4+ -> Fe3+ + Fe5+. We measured the…
The oxidation state of titanium in titanium dioxide is commonly assumed to be +4. This assumption is used ubiquitously to rationalize phenomena observed with TiO2. We present a comprehensive electronic structure investigation of Ti ions,…
We report $^{139}$La and $^{63}$Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in super-oxygenated La$_2$CuO$_{4+y}$ single crystal with stage-4 excess oxygen order at $T_{stage}\simeq 290$…
The charge ordering phenomena in quasi two-dimensional 1/4-filled organic compounds (ET)_2X (ET=BEDT-TTF) are investigated theoretically for the $\theta$ and $\alpha$-type structures, based on the Hartree approximation for the extended…