Related papers: Electronic structure and magnetism in P4/nmm KCoO2
Candidate materials for Kitaev spin liquid phase have been intensively studied recently because of their potential applications in fault-tolerant quantum computing. Although most of the studies on Kitaev spin liquid have been done in 4$d$…
A band structure description of the observed large band gaps and moments in both the antiferromagnetic (AFM) and paramagnetic (PM) phases of the classic NaCl-structure Mott insulators MnO, FeO, CoO, and NiO is provided by ordinary,…
A series of Sr(Co$_{1-x}$Ni$_x$)$_2$As$_2$ single crystals was synthesized allowing a comprehensive phase diagram with respect to field, temperature, and chemical substitution to be established. Our neutron diffraction experiments revealed…
We investigate the electronic structure of Sr$_2$FeMoO$_6$ combining photoemission spectroscopy with a wide range of photon energies and electronic structure calculations based on first-principle as well as model Hamiltonian approaches to…
Electronic band structure for electrons bound on periodic minimal surfaces is differential-geometrically formulated and numerically calculated. We focus on minimal surfaces because they are not only mathematically elegant (with the surface…
The Co-doped anatase TiO$_{2}$, a recently discovered room-temperature ferromagnetic insulator, has been studied by the first-principles calculations in the pseudo-potential plane-wave formalism within the local-spin-density approximation…
The structural and magnetic properties of Ge0.5Mn0.5Co2O4 (GMCO) have been investigated in detail utilizing neutron powder diffraction (NPD), x-ray diffraction (XRD), DC magnetometry, and heat capacity analysis and compared with GeCo2O4.…
The recent discovery of two-dimensional (2D) magnetic materials has brought magnetism to the flatland. This has opened up exciting opportunities for the exploration of fundamental physics as well as for novel device applications. Here, we…
The electronic structure of Me[N(CN)$_2$]$_2$ (Me=Mn, Fe, Co, Ni, Cu) molecular magnets has been investigated using x-ray emission spectroscopy (XES) and x-ray photoelectron spectroscopy (XPS) as well as theoretical density-functional-based…
The locally self-consistent real space multiple scattering technique has been applied to calculate the electronic structure and chemical binding for the c(2x2)O/Cu(001) system, as a function of $d_{O-Cu1}$ -- the height of oxygen above the…
CsO2 is a member of the family of alkali superoxides (formula AO2 with A= Na, K, Rb and Cs) that exhibit magnetic behavior arising from open $p$-shell electrons residing on O2- molecules. We use neutron diffraction to solve the crystal and…
The magnetic moment per Co4+ of P2(gamma)-type NaxCoO2 in Curie-Weiss metal regime is revisited and examined under a newly proposed modification of the octahedral crystal electric field (CEF). The proposed model explains the origin of the…
Crystal and magnetic structures of $R_2$Ni$_2$In ($R$ = Tb and Ho) have been studied by powder neutron diffraction at low temperatures. The compounds crystallize in an orthorhombic crystal structure of the Mn$_2$AlB$_2$-type. At low…
Ytterbium-based delafossites with effective S=1/2 moments are investigated intensively as candidates for quantum spin-liquid ground states. While the synthesis of related cerium compounds has also been reported,many important details…
Transition-metal ions with $5d^2$ electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical…
We performed muon spin rotation/relaxation measurements to investigate the magnetic behavior of $T^{\prime}$-type Eu$_2$CuO$_4$ (ECO), which is the parent compound of electron-doped cuprate superconductors, and the effects of…
Using spectral ellipsometry, we have measured the dielectric function of a Na$_{0.82(2)}$CoO$_2$ crystal that exhibits bulk antiferromagnetism with T$_{N}$=19.8 K. We identify two prominent transitions as a function of temperature. The…
The magnetic structure of the antiferromagnetic square cupola compound Ba(TiO)Cu$_4$(PO$_4$)$_4$ with the tetragonal structure is studied with 31P nuclear magnetic resonance techniques. The magnetic hyperfine shift K shows a clear splitting…
A search for new topological quantum systems is challenging due to the requirement of non{trivial band connectivity that leads to protected surface states of electrons. A progress in this field was primarily due to a realization of band…
The QS$GW$ method is used to study the electronic band structure, optical dielectric function, and exchange interactions in chalcopyrite, $I\bar{4}2d$, structure MnGeP$_2$. The material is found to be an antiferromagnetic semiconductor with…