Related papers: Exchange integrals and magnetization distribution …
We report an investigation on structure and magnetic properties of the $S=3/2$ zigzag spin chain compound BaCoTe$_2$O$_7$. Neutron diffraction measurements reveal BaCoTe$_2$O$_7$ crystallizes in the noncentrosymmetric space group $Ama2$…
Neutron spectroscopy was applied to study the magnetic interactions of orbitally degenerate Co$^{2+}$ on a host MgO rocksalt lattice where no long range spin or orbital order exists. The paramagnetic nature of the substituted monoxide…
Chiral magnetic Mn$_x$Fe$_{1-x}$Ge compounds have an antisymmetric exchange interaction that is tunable with the manganese stoichiometric fraction, $x$. Although millimeter-scale, polycrystalline bulk samples of this family of compounds…
We present evidence that crystalline Sr_2Cu(PO_4)_2 is a nearly perfect one-dimensional (1D) spin-1/2 anti-ferromagnetic Heisenberg model (AHM) chain compound with nearest neighbor only exchange. We undertake a broad theoretical study of…
Using thermodynamic measurements and density-functional band-structure calculations, we explore magnetic behavior of SrCuTe2O6. Despite being a structural sibling of a three-dimensional frustrated system PbCuTe2O6, this spin-1/2 quantum…
Magnetic properties of the antiferromagnet Zn$_{0.15}$Cu$_{1.85}$V$_2$O$_7$ (ZnCVO) have been thoroughly investigated on powder and single-crystal samples. The crystal structure determination using powder x-ray and neutron diffraction…
The electronic structures of four semiconductor compounds BaCu2S2, BaCu2Se2, BaAg2S2, and BaAg2Se2 are studied by density functional theory using both semi-local and hybrid functionals. The ionization energies and electron affinities were…
Using muon spin rotation and infrared spectroscopy we study the relation between magnetism and superconductivity in Ba$ _{1-x} $K$ _{x} $Fe$ _{2} $As$ _{2} $ single crystals from the underdoped to the slightly overdoped regime. We find that…
We present an analytical study of the exchange interactions between pseudospin one-half $d^{5}$ ions in honeycomb lattices with edge-shared octahedra. Various exchange channels involving Hubbard U, charge-transfer excitations, and cyclic…
The electronic and magnetic properties of spin-1/2 pyrochlores R2V2O7 were investigated on the basis of density-functional calculations. Contrary to the common belief, the spin-1/2 V4+ ions are found to have a substantial easy-axis…
The quest for Kitaev quantum spin liquids has led to great interest in honeycomb quantum magnets with strong spin-orbit coupling. It has been recently proposed that even Mott insulators with $3d$ transition metal ions, having nominally weak…
In order to investigate whether magnetism and superconductivity coexist in Co-doped SrFe$_2$As$_2$, we have prepared single crystals of SrFe$_{2-x}$Co$_x$As$_2$, $x$ = 0 and 0.4, and characterized them via X-ray diffraction, electrical…
We report on {6,7}Li nuclear magnetic resonance measurements of the spin-chain compound LiCu2O2 in the paramagnetic and magnetically ordered states. Below T about 24 K the NMR lineshape presents a clear signature of incommensurate (IC)…
Using spin density functional theory we have carried out a comparative study of chemical bonding and magnetism in Fe_4N, Fe_3N and Fe_2N. All of these compounds form close packed Fe lattices, while N occupies octahedral interstitial…
We derive an effective spin-1/2 exchange model for non-Kramers Tb$^{3+}$ states in the pyrochlore Tb$_2$Ti$_2$O$_7$. The four anisotropic nearest-neighbour exchange constants, as well as next-neighbour exchange constants are derived for the…
We present electronic structure calculations for the one-dimensional magnetic chain compounds Ca_3CoRhO_6 and Ca_3FeRhO_6. The calculations are based on density functional theory and the local density approximation. We use the augmented…
Fe$_3$GeTe$_2$ attracts significant attention due to technological perspectives of realizing room temperature ferromagnetism in two-dimensional materials. Here we show that due to structural peculiarities of the Fe$_3$GeTe$_2$ monolayer,…
We have investigated the influence of Ca ions substitution on the structural and superconducting properties of (Nd1-xCax)(Ba1.6La0.4)Cu3Oz system. Magnetization, X-ray diffraction and neutron diffraction studies have been carried out on a…
A ferromagnetic coupling between localized Mn spins was predicted in a series of \textit{ab initio} and tight binding calculations and experimentally verified for the dilute magnetic semiconductor Ga$_{1-x}$Mn$_x$N. In the limit of small Mn…
We report that the lattice constant of Dy$_2$Ge$_{2-x}$Si$_x$O$_7$ ($x=0, 0.02, 0.08, 0.125$) can be systematically reduced by substituting the non-magnetic germanium ion in the cubic pyrochlore oxide with silicon. A multi-anvil…