Related papers: Long-range magnetic order and spin-lattice couplin…
The structural, electronic and lattice dielectric properties of multiferroic TbMn$_2$O$_5$ are investigated using density functional theory within the generalized gradient approximation (GGA). We use collinear spin approximations and ignore…
The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…
We report results of 51V NMR in the field-induced phase of volborthite Cu3V2O7(OH)dot2H2O, a spin-1/2 antiferromagnet on a distorted kagome lattice. In magnetic fields above 4.5 T, two types of V sites with different spin-echo decay rates…
Detailed structural measurements were conducted on a new perovskite, ScMnO3, and on orthorhombic LuMnO3. Complementary density functional theory (DFT) calculations were carried out, and predict that ScMnO3 possesses E-phase magnetic order…
We study long wavelength magnetic excitations in lightly doped La_{2-x}Sr_{x}CuO_{4} (x < 0.03) detwinned crystals. The lowest energy magnetic anisotropy induced gap can be understood in terms of the antisymmetric spin interaction inside…
We investigated complex magnetic properties of multifunctional LaCrO3-LaFeO3 system. The magnetic measurements substantiate the presence of competing complex magnetic ordering against temperature, showing paramagnetic to ferrimagnetic…
We show by unbiased numerical calculations that the ferromagnetic nearest-neighbor exchange interaction stabilizes a vector spin chiral order against the quantum fluctuation in a frustrated spin-1/2 chain relevant to multiferroic cuprates,…
Using a Dirac-Heisenberg Hamiltonian with biquadratic exchange interactions, we study the effect of iron disproportionation on the magnetic ordering, and describe the first-order magnetic transition occurring in the perovskite…
The spin states and electronic structure of layered perovskite La1.5Ca0.5CoO4 are investigated using fullpotential linearized augmented plane-wave method. All the computational results indicate that the Co2+ ion is in a high-spin state and…
Quantum spin liquids are highly entangled magnetic states with exotic properties. The $S = 1/2$ square-lattice Heisenberg model is one of the foundational models in frustrated magnetism with a predicted, but never observed, quantum spin…
Correlation between dielectric and magnetic properties was investigated on the triangular lattice antiferromagnets ACrO2 (A= Cu, Ag, Li, or Na) showing 120-degree spiral spin structure with easy-axis anisotropy. For the A= Cu and Ag…
RuO$_{2}$ has been proposed as the prototypical altermagnetic material. However, several reports have recently questioned its intrinsic magnetic ordering, leading to conflicting findings, especially in thin film heterostructures pointing to…
Sr$_2$CuTeO$_6$ presents an opportunity for exploring low-dimensional magnetism on a square lattice of $S=1/2$ Cu$^{2+}$ ions. We employ ab initio multi-reference configuration interaction calculations to unravel the Cu$^{2+}$ electronic…
To understand the collinear-magnetism-driven ferroelectricity in multiferroic Ca3CoMnO6 compound, we have established an elastic diatomic Ising spin-chain model with axial-next-nearest-neighbor interaction to describe its magnetoelectric…
Based on first-principles density-functional theory calculations we investigate the electronic structure of hexanuclear "ferric wheels" M Fe_6[N(CH_2 CH_2 O)_3]_6 Cl (M = Li, Na) in their antiferromagnetic ground state. The electronic…
The spin dynamics of the geometrically frustrated triangular antiferromagnet multiferroic CuCrO2 have been mapped out using inelastic neutron scattering. The relevant spin Hamiltonian parameters modelling the incommensurate modulated…
Quasi-one-dimensional iron chalcogenides possess various magnetic states depending on the lattice distortion, electronic correlations, and presence of defects. We present neutron diffraction and inelastic neutron scattering experiments on…
Bismuth ferrite is one of the most widely studied multiferroic materials because of its large ferroelectric polarisation coexisting with magnetic order at room temperature. Using density functional theory (DFT), we identify several…
The magnetoelectric behavior of BiFeO$_3$ has been explored on the basis of accurate density functional calculations. The structural, electronic, magnetic, and ferroelectric properties of BiFeO$_3$ are predicted correctly without including…
Magnetic and other unconventional electronic orders are discussed for heavy electrons. In addition to the ordinary Kondo lattice, we consider non-Kramers systems taking the two-channel Kondo lattice, and another lattice that consists of a…