相关论文: Lattice dynamics effects on the magnetocrystalline…
Low-temperature MnBi (hexagonal NiAs phase) exhibits anomalies in the lattice constants (a, c) and bulk elastic modulus (B) below 100 K, spin reorientation and magnetic susceptibility maximum near 90 K, and, importantly for high-temperature…
Structural and physical properties determined by measurements on large single crystals of the anisotropic ferromagnet MnBi are reported. The findings support the importance of magneto-elastic effects in this material. X-ray diffraction…
The magnetocrystalline anisotropy energy $E_{anis}$ for a monolayer of Fe and Ni is determined using a fully convergent tight-binding calculation including $s$-$d$ hybridization. The spin-orbit interaction $\lambda_{so}$ is treated…
We present a novel finite-temperature second-order perturbation method incorporating spin-orbit coupling to investigate the temperature-dependent site-resolved contributions to the magnetocrystalline anisotropy energy (MAE), specifically…
The magnetocrystalline anisotropy energy E(anis) of free-standing monolayers and thin films of Fe and Ni is determined using two different semi-empirical schemes. Within a tight-binding calculation for the 3d bands alone, we analyze in…
We have studied the hard magnetic properties of the low-temperature phase of MnBi with first principle calculations based on the density functional theory. The calculations have been carried out on two distinct unit cell configurations MnBi…
We present a theoretical investigation of the magnetocrystalline anisotropy (MA) in $R_2$Fe$_{14}$B ($R$ is a rare-earth element) magnets in consideration of the non-collinearity effect (NCE) between the $R$ and Fe magnetization directions.…
First-order magnetostructural phase transitions underpin giant magnetocaloric effects, yet the microscopic role of lattice dynamics in these transitions remains controversial. Here we use first-principles spin-lattice dynamics simulations…
The nuclear spin-lattice relaxation rate 1/T_1_ is calculated for magnetic ring clusters by fully diagonalizing their microscopic spin Hamiltonians. Whether the nearest-neighbor exchange interaction J is ferromagnetic or antiferromagnetic,…
The magnetic free energy is usually quadratic in magnetic field and depends on the mutual orientation of the magnetic field and the crystalline axes. Tiny in magnitude, this magnetocrystalline anisotropy energy (MAE) is nevertheless…
We employ metadynamics simulations to calculate the free energy landscape of thin ferromagnetic films and perform a systematic study of the temperature dependence of magnetic anisotropy and of the spin-reorientation transitions. By using a…
High energy density magnets are preferred over induction magnets for many applications, including electric motors used in flying rovers, electric vehicles, and wind turbines. However, several issues related to cost and supply with…
Magnetic refrigeration presents an energy-efficient and environmentally benign alternative to traditional vapour-compression cooling technologies. It relies on the magnetocaloric effect, in which the temperature of a magnetic material…
We used temperature dependent high-resolution x-ray powder diffraction and magnetization measurements to investigate structural, magnetic and electronic degrees of freedom across the ferromagnetic magneto-elastic phase transition in…
We present a systematic 57Fe-Moessbauer study on highly diluted Fe centers in Li2(Li1-xFex)N single-crystals as a function of temperature and magnetic field applied transverse and longitudinal with respect to the single-ion anisotropy axis.…
Magnetocrystalline anisotropy is a fundamental property of magnetic materials that determines the dynamics of magnetic precession, the frequency of spin waves, the thermal stability of magnetic domains, and the efficiency of spintronic…
We report tight-binding (TB) and Density Function Theory (DFT) calculations of magnetocrystalline anisotropy energy (MAE) of free Fe (body centerd cubic) and Co (face centered cubic) slabs and nanocrystals. The nanocrystals are truncated…
We present first principles calculations of the dynamic susceptibility in strained and doped ferromagnetic MnBi using time-dependent density functional theory. In spite of being a metal, MnBi exhibits signatures of strong correlation and a…
We perform first principles calculations of the magnetocrystalline anisotropy energy in the five L10 FePt samples studied experimentally by Ding et al. [J. App. Phys. 97, 10H303 (2005)]. The effect of temperature-induced spin fluctuations…
The magnetocrystalline anisotropy energies (MAEs) of the ferromagnetic metals bcc Fe, fcc and hcp Co, and fcc Ni have been calculated by using the {\it ab initio} tight-binding method. Disentangling the strong correlation among the $d$…