Related papers: Ab initio Disordered Local Moment Approach for a D…

Temperature dependence of the magnetocrystalline anisotropy energy and magnetization of the prototypical rare-earth magnet YCo$_5$ is calculated from first principles, utilizing the relativistic disordered local moment approach. We discuss…

Atomic-scale computational modeling of technologically relevant permanent magnetic materials faces two key challenges. First, a material's magnetic properties depend sensitively on temperature, so the calculations must account for thermally…

The maximum coercivity that can be achieved for a given hard magnetic alloy is estimated by computing the energy barrier for the nucleation of a reversed domain in an idealized microstructure without any structural defects and without any…

We consider the thermodynamic behavior of a disordered interacting electron system in two dimensions. We show that the corrections to the thermodynamic potential in the weakly localized regime give rise to a non monotonic behavior of the…

The magnetization of amorphous DyCo3 and TbCo3 is studied by magnetometry, anomalous Hall effect and magneto-optic Kerr effect to understand the temperature-dependent magnetic structure. A square magnetic hysteresis loop with perpendicular…

Torque magnetization measurements on YBa$_2$Cu$_3$O$_{y}$ (YBCO) at doping $y=6.67$($p=0.12$), in DC fields ($B$) up to 33 T and temperatures down to 4.5 K, show that weak diamagnetism persists above the extrapolated irreversibility field…

We present an investigation into the intrinsic magnetic properties of the compounds YCo5 and GdCo5, members of the RETM5 class of permanent magnets (RE = rare earth, TM = transition metal). Focusing on Y and Gd provides direct insight into…

Computational design of more efficient rare earth/transition metal (RE-TM) permanent magnets requires accurately calculating the magnetocrystalline anisotropy (MCA) at finite temperature, since this property places an upper bound on the…

Ab initio calculations of formation energy and mixing energy for (Nd,R)2(Fe,Co)14B [R = rare-earth elements other than Nd] are presented to address the site preference of dopants and the corresponding magnetic properties. Contrasting trends…

A classical spin model derived ab initio for rare-earth-based permanent magnet compounds is presented. Our target compound, NdFe$_{12}$N, is a material that goes beyond today's champion magnet compound Nd$_{2}$Fe$_{14}$B in its intrinsic…

The current progress in describing rare-earth-based magnets' electronic structure and magnetic properties is discussed. We use several currently popular electronic structure methods to show the typical values of critical parameters that…

We investigate the effects of diamagnetic doping in the solid-solution series $Tb_{1-x}Y_{x}(HCO_{2})_{3}$, in which the parent $Tb(HCO_{2})_{3}$ phase has previously been shown to host a combination of frustrated and quasi-1D physics,…

We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-interaction corrected local spin density approximation…

In this work, we present the first magnetization measurements of DyCo$_5$ single crystals in magnetic fields up to 14 T, spanning a temperature range up to 600 K. Our investigation reveals several unique features, including a significant…

We propose a minimal model to capture the anomalous low-temperature thermodynamics of doped semiconductors, such as Si:P, across the metal-insulator transition. We consider pairs of local magnetic moments coupled to a highly disordered,…

This report presents a new technique to probe the quantitative dynamical response of the magnetic field induced heating/cooling process in rare-earth vanadium materials. The approach combines AC susceptibility and AC caloric measurements to…

We propose a data-assimilation method for evaluating the finite-temperature magnetization of a permanent magnet over a high-dimensional composition space. Based on a general framework for constructing a predictor from two data sets…

The coercive field of permanent magnets decays with temperature. At non-zero temperature the system can overcome a finite energy barrier through thermal fluctuations. Using finite element micromagnetic simulations, we quantify this effect,…

We report the first study of electrical resistivity, magnetization, and specific heat on YbCo$_2$. The measurements on a single-phased sample of YbCo$_2$ bring no evidence of magnetic ordering down to 0.3 K in a zero magnetic field. The…

The Ca$_2$MnReO$_6$ double perovskite is a spin-orbit-assisted Mott insulator with exotic magnetic properties, including a largely non-collinear Mn$^{2+}$ spin arrangement and nearly orthogonal coupling between such spins and the much…