Related papers: Electronic structure and magnetism in P4/nmm KCoO2

The optical response functions and band structures of LiCoO$_2$ are studied at different levels of approximation, from density functional theory (DFT) in the generalized gradient approximation (GGA) to quasiparticle self-consistent QS$GW$…

Na$_x$CoO$_2$, the parent compound of the recently synthesized superconductor Na$_x$CoO$_2$:$y$H$_2$O, exhibits bulk antiferromagnetic order below $\sim20$ K for 0.75 $\leq x \leq$ 0.9. We have performed neutron scattering experiments in…

The electronic structure of the kagome staircase compounds, Ni3V2O8 and Co3V2O8, has been investigated using soft x-ray absorption, soft x-ray emission, and resonant inelastic x-ray scattering (RIXS). Comparison between the two compounds,…

CuTeO4 has been proposed as a crystallographically distinct, yet electronic structure analog, of the superconducting cuprates. Here, we present detailed characterization of the of the physical properties of CuTeO4 to address this proposal.…

Ti2O3 exhibits a unique metal-insulator transition (MIT) at approximately 450 K over a wide temperature range of ~ 150 K. This broad MIT accompanied by lattice deformation differs from the sharp MITs observed in most other transition-metal…

The electronic structures of the ferromagnetic superconductors $\mathrm{UGe}_2$ and $\mathrm{UCoGe}$ in the paramagnetic phase were studied by angle-resolved photoelectron spectroscopy using soft X-rays ($h\nu =400-500$). The quasi-particle…

Co-oxides beta-Na0.5CoO2 and gamma-K0.5CoO2 have been prepared by the Na de-intercalation from alpha-NaCoO2 and by the floating-zone method, respectively. It has been found that successive phase transitions take place at temperatures Tc1…

The antiferromagnetic - ferromagnetic phase transition in YBaCo2O5.50 and YBaCo2O5.44 cobaltites with different types of oxygen-ion ordering in the [YO0.5/0.44] layers has been studied by neutron powder diffraction. Using the magnetic…

The electronic properties of quasi-one-dimensional anatase TiO2 nanostructures, in the form of thin nanowires having (101) and (001) facets, have been systematically investigated using the standard, hybrid density functional and…

A study is presented of the electronic band structure and optical absorption spectrum of monolayer WSe$_2$ using an all-electron quasiparticle self-consistent $GW$ approach, QS$G\hat W$, in which the screened Coulomb interaction $\hat W$ is…

The local electronic structures of La2CuO4, three members of the Yttrium-family (YBa2Cu3O6, YBa2Cu3O7, and YBa2Cu4O8), and to some extent of Nd2CuO4 have been determined using all-electron ab-initio cluster calculations for clusters…

We present a detailed study on the charge ordering (CO) transition in GdBaCo2O5 system by combining high resolution synchrotron powder/single crystal diffraction with electron paramagnetic resonance (EPR) experiments as a function of…

$^{59}$Co and $^{31}$P nuclear magnetic resonance (NMR) measurements in external magnetic and zero magnetic fields have been performed to investigate the magnetic properties of the A-type antiferromagnetic (AFM) CaCo$_2$P$_2$. NMR data,…

We have investigated the structural, magnetic, thermodynamic, and dielectric properties of polycrystalline CoCr$_2$O$_4$, an insulating spinel exhibiting both ferrimagnetic and spiral magnetic structures. Below $T_c$ = 94 K the sample…

We report on structural, magnetic and electronic properties of Co-implanted TiO2 rutile single crystals for different implantation doses. Strong ferromagnetism at room temperature and above is observed in TiO2 rutile plates after cobalt ion…

We describe neutron scattering experiments performed to investigate the magnetic order and dynamics of half-doped La1.5Sr0.5CoO4. This layered perovskite exhibits a near-ideal checkerboard pattern of Co2+/Co3+ charge order at temperatures…

Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…

Two-dimensional electron gases (2DEGs) in oxides show great potential for discovering new physical phenomena and at the same time hold promise for electronic applications. In this work we use angle resolved photoemission to determine the…

We report the synthesis, crystal structure, and magnetic properties of a new Kitaev honeycomb cobaltate, KCoAsO$_4$, which crystallizes in two distinct forms: $P2/c$ and $R\bar{3}$ space groups. Magnetic measurements reveal ordering…

Beyond conventional ferromagnetism and antiferromagnetism, altermagnetism is a recently discovered unconventional magnetic phase characterized by time-reversal symmetry breaking and spin-split band structures in materials with zero net…