Related papers: Electronic structure and magnetism in P4/nmm KCoO2
The presence of complexity in the electronic structure of strongly correlated electron system NdCoO$_3$ (NCO) have sparked interest in the investigation of its physical properties. Here, we study the the Seebeck coefficient ($\alpha $) of…
Spin ordering in TbBaCo2O5.5 and its temperature transformation is studied. Polymorphism due to the oxygen ordering with the average content close to 5.5 is investigated. One of ceramic samples (I), in addition to the main phase ap x 2ap x…
CoO2 is the parent compound for the superconductor NaxCoO2\cdot1.3H2O and was widely believed to be a Mott insulator. We performed 59Co nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) studies on LixCoO2 (x = 0.35,…
The electronic structure and magnetism of chromia (corundum-type Cr2O3) are studied using full-potential first-principles calculations. The electronic correlations are included within the LSDA+U method. The energies of different magnetic…
Single-crystal neutron diffraction has been used to determine the incommensurate magnetic structure of NaCu2O2, a compound built up of chains of edge-sharing CuO4 plaquettes. Magnetic structures compatible with the lattice symmetry were…
Elastic and inelastic neutron scattering were used to study the ordered phase of the quasi-one-dimensional spin-1/2 antiferromagnet ${\rm BaCu_{2}Si_{2}O_{7}}$. The previously proposed model for the low-temperature magnetic structure was…
Neutron scattering studies have been carried out on polycrystalline samples of a series of rare earth intermetallic compounds RCuAs$_2$ (R = Pr, Nd, Dy, Tb, Ho and Yb) as a function of temperature to determine the magnetic structures and…
A first-principles computational study is presented of various phases of LiAlO$_2$.The $\beta$ and $\gamma$ tetrahedral phases are found to be very close in energy with the $\gamma$ phase having the lowest energy. The octahedral $\alpha$…
We study the electronic structure and the magnetic correlations of cyanocobalamin ($C_{63}H_{88}CoN_{14}O_{14}P$) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition metal impurity in a…
A comprehensive study of Ge1-xMnxCo2O4 (GMCO) system was conducted using neutron powder diffraction (NPD), x-ray diffraction (XRD), Scanning electron microscopy, magnetometry, and heat capacity measurements. Comparative analysis with…
The spinel cobalt oxide Co3O4 is a magnetic semiconductor containing cobalt ions in Co2+ and Co3+ oxidation states. We have studied the electronic, magnetic and bonding properties of Co3O4 using density functional theory (DFT) at the…
Motivated by recent experimental progress in transition metal oxides with the K$_2$NiF$_4$ structure, we investigate the magnetic and orbital ordering in $\alpha$-Sr$_2$CrO$_4$. Using first principles calculations, first we derive a…
The van der Waals (vdW) layered multiferroics, which host simultaneous ferroelectric and magnetic orders, have attracted attention not only for their potentials to be utilized in nanoelectric devices and spintronics, but also offer…
The electronic band structure of Na$_{2}$KSb was studied by a combination of low-energy photoemission spectroscopy and density functional theory (DFT) calculations. The optical and photoemission quantum efficiency (QE) spectra, along with…
The quasiparticle band structures of nonmagnetic monoxides, MO (M=Mg, Ca, Ti, and V), are calculated by the GW approximation. The band gap and the width of occupied oxygen 2p states in insulating MgO and CaO agree with experimental…
The magnetic, dielectric and structural properties of type-I multiferroic KNiPO$_4$ have been investigated by neutron powder diffraction, magnetization, dielectric and high temperature synchrotron-XRD measurements. Below the N\'{e}el…
The electronic structure of single crystals Na$_{0.6}$CoO$_2$, which are closely related to the superconducting Na$_{0.3}$CoO$_2$.$y$H$_2$O ($T_c \sim 5K$), is studied by angle-resolved photoelectron spectroscopy. While the measured Fermi…
In half-doped Pr0.50A0.50CoO3 metallic perovskites, the spin-lattice coupling brings about distinct magnetostructural transitions for A=Ca and A=Sr at temperatures close to 100 K. However, the ground magnetic properties of Pr0.50Sr0.50CoO3…
Using muon spin spectroscopy we have found that, for both Na$_x$CoO$_2$ (0.6 $\leq x \leq$ 0.9) and 3- and 4-layer cobaltites, a common low temperature magnetic state (which in some cases is manifest as an incommensurate spin density wave)…
Flat band systems in condensed matter physics are intriguing because they can exhibit exotic phases and unconventional properties. In this work, we studied three correlated magnetic systems, Na$_2$BaX(PO$_4$)$_2$ (X = Mn, Co, Ni), and…