Related papers: Verification of Anderson superexchange in MnO via …
An experimental determination of the magnetic pair distribution function (mPDF) defined in an earlier paper (Frandsen, Yang, and Billinge. (2014) Acta Crystallogr. A, 70(1), 3-11) is presented for the first time. The mPDF was determined…
We report the first example of magnetic pair distribution function (mPDF) data obtained through use of neutron polarization analysis. Using the antiferromagnetic semiconductor MnTe as a test case, we present high-quality mPDF data collected…
The magnetic properties of the transition metal monoxides MnO and NiO are investigated at equilibrium and under pressure via several advanced first-principles methods coupled with Heisenberg Hamiltonian MonteCarlo. The comparative…
We report about the magnetic properties of antiferromagnetic (AF) MnO nanoparticles (NPs) with different sizes (6-19nm). Using a combination of polarized neutron scattering and magnetometry we were able to resolve previously observed…
Magnetic neutron scattering measures spin-spin correlations giving information about the long-range spin order as well as the shape of the spin density in magnetic materials. Similarly, detailed first principles calculations directly…
The superexchange intertacion in transition-metal oxides, proposed initially by Anderson in 1950, is treated using contemporary tight-binding theory and existing parameters. We find also a direct exchange for nearest-neighbor metal ions,…
We calculate the magnetic interactions between two nearest neighbor substitutional magnetic ions (Co or Mn) in ZnO by means of density functional theory and compare it with the available experimental data. Using the local spin density…
Using a combination of single-crystal neutron scattering and reverse Monte Carlo refinements, we study the magnetic structure of paramagnetic MnO at a temperature (160\,K) substantially below the Curie-Weiss temperature…
Spin-wave excitations are fundamental to understanding the behavior of magnetic materials and hold promise for future information and communication technologies. Yet, modeling these accurately in transition-metal compounds remains…
We present time-of-flight neutron total scattering and polarized neutron scattering measurements of the magnetically frustrated compounds NaCaCo$_2$F$_7$ and NaSrCo$_2$F$_7$, which belong to a class of recently discovered pyrochlore…
We present a method of extracting the exchange parameters of the classical Heisenberg model from first-principles calculations of spin-spiral total energies based on density functional theory. The exchange parameters of the transition-metal…
Local magnetic order and anisotropy are often central for understanding fundamental behavior and emergent functional properties in quantum materials and beyond. Advances in neutron powder diffraction experiments and analysis tools now allow…
To understand spin interactions in materials of the Cu$_2$Sb structure type, inelastic neutron scattering of Fe$_2$As single crystals was examined at different temperatures and incident neutron energies. The experimental phonon spectra…
An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…
Magnetic properties of Ga$_{1-x}$Mn$_x$N are studied theoretically by employing a tight binding approach to determine exchange integrals $J_{ij}$ characterizing the coupling between Mn spin pairs located at distances $R_{ij}$ up to the 16th…
We use neutron scattering to study the lattice and magnetic structure of the layered half-doped manganite Pr$_{0.5}$Ca$_{1.5}$MnO$_4$. On cooling from high temperature, the system first becomes charge- and orbital- ordered (CO/OO) near…
We present a first-principles investigation of magnetic exchange interactions and critical behavior in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices for $n=2,4,6$. For all superlattices under investigation, we find robust…
Short-range magnetic correlations can significantly increase the thermopower of magnetic semiconductors, representing a noteworthy development in the decades-long effort to develop high-performance thermoelectric materials. Here, we reveal…
We have analyzed magnetic-field-dependent small-angle neutron scattering (SANS) data of soft magnetic two-phase nanocomposite ferromagnets in terms of a recent micromagnetic theory for the magnetic SANS cross section [D. Honecker and A.…
$^{75}$As NMR measurements were performed on a polycrystalline sample of spin-1/2 alternating-spin-chain Heisenberg antiferromagnet AgVOAsO$_4$. Temperature-dependent NMR shift $K(T)$, which is a direct measure of the intrinsic spin…