The modern version of the KKR (Korringa–Kohn–Rostoker) method represents the
electronic structure of a system directly and efficiently in terms of its single-particle Green's …

Non-trivial spin arrangements in magnetic materials give rise to the topological Hall effect
observed in compounds with a non-centrosymmetric cubic structure hosting a skyrmion …

We report the effects of carbon incorporation on the structural and magnetic properties of
epitaxial Mn 5 Ge 3 C x films grown on Ge (111) by the solid phase epitaxy method. This …

Metallic antiferromagnets with noncollinear orientation of magnetic moments provide a
playground for investigating spin-dependent transport properties by analysis of the …

We study the whole Ge-Mn phase diagram with density functional theory (DFT) methods.
The 16 known phases are described and trends are analyzed. The compounds are then …

This study presents the effect of Cu doping on the fundamental properties, magnetocaloric
effect, and critical behavior of Mn 5 Ge 3 system. Mn 5-x Cu x Ge 3 compounds with x= 0.1 …

We report the temperature-dependent magnetic and structural properties of epitaxial Mn 5
Ge 3 thin films grown on Ge substrates. Utilizing density-functional theory (DFT) calculations …

The phase of the quantum-mechanical wave function can encode a topological structure
with wide-ranging physical consequences, such as anomalous transport effects and the …

The specific heat C p (T) of the Mn 5 Ge 3 ferromagnet has been studied in a wide
temperature range of 2–400 K. The ferromagnetic ordering has been confirmed at TC …

In this paper, we revisit the theory of point defect diffusion in silicon using atomistic
calculations. In the first part, we discuss on the concept of effective migration energy. We use …