Related papers: Magnetic Structure of CoO
CoO has an odd number of electrons in its unit cell, and therefore is expected to be metallic. Yet, CoO is strongly insulating owing to significant electronic correlations, thus classifying it as a Mott insulator. We investigate the…
Atomically thin layers exfoliated from magnetic van der Waals layered materials are currently of high interest in solid state physics. VOCl is a quasi-two-dimensional layered antiferromagnet which was recently synthesized in monolayer form.…
We use the density functional theory and lattice dynamics calculations to investigate the properties of potassium superoxide KO$_2$ in which spin, orbital, and lattice degrees of freedom are interrelated and determine the low-temperature…
We studied the crystal and magnetic structure of the La$_{1-x}$Ca$_{x}$MnO$_{3}$ compound for $x=0.8$ and $x=0.85$. At T=300 K both samples are paramagnetic with crystallographic symmetry $Pnma$. At low temperatures they undergo a…
Vanadium Sesquioxide (V$_2$O$_3$) is an antiferromagnetic insulator below $T_{\mathrm N}\approx$ 155 K. The magnetic order is not of C- or G-type as one would infer from the bipartite character of the hexagonal basal plane in the…
We report evidence that the experimentally observed small deformation of antiferromagnetic NiO modifies the symmetry of the crystal in such a way that the antiferromagnetic state becomes an eigenstate of the electronic Hamiltonian. This…
We studied the crystal and magnetic structure of the La$_{1-x}$Ca$_{x}$MnO$_{3}$ compound for $(0.11\leq x\leq 0.175)$ using stoichiometric samples. For $x<0.13$ the system's ground state is insulating canted antiferromagnetic. For $0.13\le…
The magnetic properties of NaVO2 are investigated using full-potential linearized augmented plane wave method. We perform calculations for three structures. For the rhombohedral structure at 100 K, the t2g orbitals of V ions are split into…
We study the problem of designing an artificial Mott insulator in a correlated oxide heterostructure. We consider the extreme limit of quantum confinement based on ionic discontinuity doping, and argue that a unique dimer Mott insulator can…
The deviation of positions of atoms from their ideal lattice sites in crystalline solid state systems causes distortion and can lead to variation in structural [1] and functional properties [2]. Distortion in molecular systems has been…
Monoclinic CuO is anomalous both structurally as well as electronically in the 3$d$ transition metal oxide series. All the others have the cubic rock salt structure. Here we report the synthesis and electronic property determination of a…
In this paper I report evidence that the antiferromagnetic and insulating ground state of MnO is caused by a nonadiabatic atomic-like motion as it is evidently the case in NiO. In addition, I show that the experimental findings of Goodwin…
When holes are doped into a Mott-Hubbard type insulator, like lightly doped manganites of the La(1-x)CaxMnO3 family, the cooperative Jahn-Teller distortions and the appearance of orbital ordering require an arrangement of Mn(3+)/Mn(4+) for…
We have investigated the structural and magnetic transitions in CsCoO$_2$ using calorimetric measurements, neutron powder diffraction (NPD), density functional theory (DFT) calculations and muon-spin relaxation ($\mu$SR) measurements.…
Neutron scattering was used to determine the spin structure and the magnon spectrum of the Mott--Hubbard insulator YTiO$_3$. The magnetic structure is complex, comprising substantial G-type and A-type antiferromagnetic components in…
Applying the correlated electronic structure method based on density functional theory plus the Hubbard $U$ interaction, we have investigated the tetragonal scheelite structure Mott insulator KOsO$_4$, whose $e_g^1$ configuration should be…
Cooperative Jahn-Teller ordering is well-known to drive the cubic $Fd\overline{3}m$ to tetragonal $I$4$_1$/$amd$ structural distortion in Mn$_3$O$_4$ at 1170 $^{\circ}$C. Further structural distortion occurs in Mn$_3$O$_4$ upon magnetic…
We present a comprehensive single crystal neutron diffraction investigation of the $\rm Mn_{1-x}Co_{x}WO_4$ with $0.02\leq x \leq0.30$. At lower concentration $x \leq 0.05$, the system is quickly driven into the multiferroic phase with spin…
Motivated by the recent experimental developments in van der Waals heterostructures, we investigate the emergent magnetism in Mott insulator - semimetal moir\'e superlattices by deriving effective spin models and exploring their phase…
We have studied the electronic structure of the two-dimensional Heisenberg antiferromagnet VOCl using photoemission spectroscopy and density functional theory including local Coulomb repulsion. From calculated exchange integrals and the…