相关论文: Charge ordering mechanism in silver fluoride AgF$_…
We have carried out density-functional theory (DFT) calculations to study the magnetic stability of both ferromagnetic (FM) and anti-ferromagnetic (AFM) states in monolayer 1T-CrTe2. Our results show that the AFM order is lower in energy…
In a multiorbital model of the cuprate high-temperature superconductors soft antiferromagnetic (AF) modes are assumed to reconstruct the Fermi surface to form nodal pockets. The subsequent charge ordering transition leads to a phase with a…
Electronic structure and cohesive properties of metastable hexagonal AgB_{2} and silver-deficient borides Ag_{0.875}B_{2} and Ag_{0.750}B_{2} were investigated by means of the projected augmented wave method in the framework of the density…
We present our theoretical results on the ground states in layered triangular-lattice compounds ANiO2 (A=Na, Li, Ag). To describe the interplay between charge, spin, orbital, and lattice degrees of freedom in these materials, we study a…
We report a high-resolution neutron diffraction study of the crystal and magnetic structure of the orbitally-degenerate frustrated metallic magnet AgNiO2. At high temperatures the structure is hexagonal with a single crystallographic Ni…
We present theoretical study of relative stability as well as of the magnetic and electronic properties of AgF2 and CuF2, in two related structural forms: orthorhombic (ambient pressure form of AgF2) and monoclinic (ambient pressure form of…
The Fe intercalated transition metal dichalcogenide (TMD), Fe$_{1/3}$NbS$_2$, exhibits remarkable resistance switching properties and highly tunable spin ordering phases due to magnetic defects. We conduct synchrotron X-ray scattering…
Using angle-resolved photoemission spectroscopy (ARPES) and low-energy electron diffraction (LEED), together with density-functional theory (DFT) calculation, we report the formation of charge density wave (CDW) and its interplay with the…
Charge density wave (CDW) orders in YNiC2 are studied by means of combined experimental and computational techniques. On the experimental side, single crystals grown by the floating-zone method were examined by means of X-ray diffraction,…
In this work, we theoretically study the charge order and orbital magnetic properties of a new type of antiferromagnetic kagome metal FeGe. Based on first principles density functional theory (DFT) calculations, we have studied the…
Charge density wave (CDW) states in solids bear an intimate connection to underlying fermiology. Modification of the latter by a suitable perturbation provides an attractive handle to unearth novel CDW states. Here, we combine extensive…
Charge density wave, or CDW, is usually associated with Fermi surfaces nesting. We here report a new CDW mechanism discovered in a 2H-structured transition metal dichalcogenide, where the two essential ingredients of CDW are realized in…
Combined effects of electron correlations and lattice distortions are investigated on the charge ordering in \theta-(BEDT-TTF)2RbZn(SCN)4 theoretically in a two-dimensional 3/4-filled extended Hubbard model with electron-lattice couplings.…
To understand the multistage phase transitions in V-based kagome metals inside the charge-density-wave (CDW) phase, we focus on the impact of the "mix-type" Fermi surface because it is intact in the CDW state on the "pure-type" Fermi…
Neutron diffraction measurements on multiferroic LuFe2O4 show changes in the antiferromagnetic (AFM) structure characterized by wavevector q = (1/3 1/3 1/2) as a function of electric field cooling procedures. The increase of intensity from…
Charge-density wave (CDW) modulations in underdoped high-temperature cuprate superconductors remain a central puzzle in condensed matter physics. However, despite a substantial experimental verification of this ubiquitous phase in a large…
The nature of electronic states due to strong correlation and geometric frustration on the triangular lattice is investigated in connection to the unconventional insulating state of Na$_x$CoO$_2$ at $x=0.5$. We study an extended Hubbard…
We analyze incommensurate charge-density-wave (CDW) and pair-density-wave (PDW) orders with transferred momenta $(\pm Q,0)$/$(0,\pm Q)$ in underdoped cuprates within the spin-fermion model. Both orders appear due to exchange of spin…
Charge fluctuations in the quasi-one-dimensional material Li0.9Mo6O17 are analyzed based on a multi orbital extended Hubbard model. A charge ordering transition induced by Coulomb repulsion is found with a charge ordering pattern different…
The family of molecular conductors TMTTF/TMTSF-X demonstrates almost all known electronic phases in parallel with a set of weak structural modifications of anion ordering and mysterious structureless transitions. Only in early 2000's their…