Related papers: {\it Ab initio} studies of spin-spiral waves and e…
We have employed the generalized Bloch theorem to evaluate the spin stiffness constants of 3$d$ transition metals (bcc-Fe, fcc-Co, and fcc-Ni) within the linear combination of pseudo-atomic orbitals (LCPAO). The spin stiffness constants…
We present an ab initio investigation of magnetic exchange interactions using the spin-spiral method implemented in the VASP code, with a comparative analysis of the self-consistent (SC) and magnetic force theorem (MFT) approaches. Using…
It is found that all the zigzag chains except the nonmagnetic (NM) Ni and antiferromagnetic (AF) Fe chains which form a twisted two-legger ladder, look like a corner-sharing triangle ribbon, and have a lower total energy than the…
We investigate the chiral magnetic order in free-standing planar 3$d$-5$d$ bi-atomic metallic chains (3$d$: Fe, Co; 5$d$: Ir, Pt, Au) using first-principles calculations based on density functional theory. We found that the antisymmetric…
Using density functional theory, we investigate the electronic and magnetic properties of $3d$ transition-metal adatoms adsorbed on a monolayer of Mn on W(110). Mn/W(110) has a noncollinear cycloidal spin-spiral ground state with an angle…
On the basis of density functional theory electronic band structure calculations using the augmented spherical wave method, the electronic and magnetic properties of the orthorhombic and tetragonal phases of Ca3Mn2O7 were investigated and…
Recent ab intio studies of the magnetic properties of all 3d transition metal(TM) freestanding atomic chains predicted that these nanowires could have a giant magnetic anisotropy energy (MAE) and might support a spin-spiral structure,…
The collective behavior of spins in a dilute magnetic semiconductor is determined by their mutual interactions and influenced by the underlying crystal structure. Hence, we begin with the atomic quantum-mechanical description of this system…
In this paper we investigated structural, electronic and magnetic properties of 3d (light) transition metal (TM) atomic chains using first-principles pseudopotential plane wave calculations. Periodic linear, dimerized linear and planar…
Entanglement of spin and orbital degrees of freedom, via relativistic spin-orbit coupling, in 4$d$ transition metal oxides can give rise to a variety of novel quantum phases. A previous study of mixed 3$d$-4$d$ quasi-1D spin-chain oxide…
We report on the microscopic magnetic model of a spin-1/2 magnet BaV$_3$O$_8$. In contrast to earlier phenomenological analysis, our density-functional band-structure calculations combined with quantum Monte-Carlo simulations establish a…
We have investigated the quasi-one dimensional Ni-chain compound PbMn$_2$Ni$_6$Te$_2$O$_{18}$ using theoretical DFT calculations, inelastic neutron scattering and optical spectroscopy in order to understand the nature of magnetic exchange…
We report transport and inelastic neutron scattering studies on electronic properties and spin dynamics of the quasi-one-dimensional spin chain antiferromagnet RbFeS$_2$. An antiferromagnetic phase transition at $T_N\approx195$ K and…
Bandstructure calculations with different spin arrangement for the spin-chain compound MgVO_3 have been performed, and paramagnetic as well as magnetic solutions with ferro- and antiferromagnetically ordered chains are found, the magnetic…
Using a combination of density functional theory (DFT) and spin-wave theory methods, we investigate the magnetic interactions and spin excitations in semiconducting VI$_3$. Exchange parameters of monolayer, bilayer, and bulk forms are…
We study the nature of spin excitations of individual transition metal atoms (Ti, V, Cr, Mn, Fe, Co and Ni) deposited on a Cu$_2$N/Cu(100) surface using both spin-polarized density functional theory (DFT) and exact diagonalization of an…
We report on the unexpected uniform spin chain physics in CuNCN, the insulating nitride analog of copper oxides. Based on full-potential band structure calculations, we derive the relevant microscopic parameters, estimate individual…
The thermodynamic properties of ferromagnetic spin chains have been the subject of many publications. Still, the problem of how the spin-wave interaction manifest itself in these low-temperature series has been neglected. Using the method…
We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…
Inelastic neutron scattering on the spin-chain compound Sr$_3$NiIrO$_6$ reveals gapped quasi-1D magnetic excitations. The observed one-magnon band between 29.5 and 39 meV consists of two dispersive modes. The spin wave spectrum could be…