Related papers: Significantly Enhanced Vacancy Diffusion in Mn-con…
In this work, the spallation processes in the ductile metals are systematically discussed in theory. By employing the phase transition theory and non-equilibrium transport theory, the spallation processes of ductile metals under dynamic…
Lattice anharmonicity is thought to strongly affect vacancy concentrations in metals at high temperatures. It is however non-trivial to account for this effect directly using density functional theory (DFT). Here we develop a deep neural…
Diffuse intensities in the electron diffraction patterns of concentrated face-centered cubic solid solutions have been widely attributed to chemical short-range order, although this connection has been recently questioned. This article…
Magnetic properties of a single vacancy in graphene is a relevant and still much discussed problem. The experimental results point to a clearly detectable magnetic defect state at the Fermi energy, while calculations based on density…
The stability of two-dimensional (2D) layers and membranes is subject of a long standing theoretical debate. According to the so called Mermin-Wagner theorem, long wavelength fluctuations destroy the long-range order for 2D crystals.…
We study several effects which lead to symmetry-broken momentum distributions of quantum gases released from optical lattices. In particular, we demonstrate that interaction within the first milliseconds of the time-of-flight expansion can…
A model in which pointlike defects are randomly embedded in Minkowski spacetime is considered. The distribution of spacetime defects is constructed to be Lorentz-invariant. It does not introduce a preferred reference frame, because it is…
Fast moving classical variables can generate quantum mechanical behavior. We demonstrate how this can happen in a model. The key point is that in classically (ontologically) evolving systems one can still define a conserved quantum energy.…
High-energy neutrinos are expected to be produced in a vareity of astrophysical sources as well as in optically thick hidden sources. We explore the matter-induced oscillation effects on emitted neutrino fluxes of three different flavors…
Hydrogen (H) content modifies the creep response of Fe-based alloys by altering thermodynamics of point-defects; here we identify the electronic-structure mechanism underlying this effect. Using spin-polarized first-principles calculations…
We investigate theoretically the effect of nearby As (arsenic) vacancies on the magnetic properties of substitutional Mn (manganese) impurities on the GaAs (110) surface, using a microscopic tight-binding model which captures the salient…
We have performed the first ab-initio calculations of a possible complex non-collinear magnetic structure in aluminium-rich Al-Mn liquids within the real-space tight-binding LMTO method. In our previous work we predicted the existence of…
Beside the rise of total cross sections or interaction radii of colliding high energetic particles and the shrinkage of mean-free-paths of ultra relativistic particles (nucleii) in material media (anomalons), which have been shown to be of…
The accumulation and growth of vacancy clusters under irradiation is a pivotal degradation mode for structural materials in extreme environments. Even tungsten undergoes rapid defect coarsening compromising its integrity. Here we show a…
Ab initio total energy calculations show that the antiferromagnetic (111) order is not the ground state for the ideal CuMnSb Heusler alloy in contrast to the results of neutron diffraction experiments. It is known, that Heusler alloys…
Two-dimensional (2D) Janus Transition Metal Dichalcogenides (TMDs) have attracted much interest due to their exciting quantum properties arising from their unique two-faced structure, broken-mirror symmetry, and consequent colossal…
We report intrinsic ferromagnetism in monolayer electrides or electrenes, in which excess electrons act as anions. Our first-principles calculations demonstrate that magnetism in such electron-rich two-dimensional (2D) materials originates…
The characteristics of the odd-even effect in fission-fragment Z distributions are compared to a model based on statistical mechanics. Special care is taken for using a consistent description for the influence of pairing correlations on the…
The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community. Despite initial experiments dating back to the mid-20th century, a comprehensive theoretical explanation and reliable ab initio…
Defects are crucial in determining a variety of material properties especially in low dimensions. In this work, we study point defects in monolayer alpha-phase Ruthenium (III) chloride (alpha-RuCl3), a promising candidate to realize quantum…