Related papers: Phase stability analysis in Fe-Pt and Co-Pt alloy …
Space missions have discovered a large number of exoplanets evolving in (or close to) mean-motion resonances (MMRs) and resonant chains. Often, the published data exhibit very high uncertainties due to the observational limitations that…
We resolve issues that have plagued reliable prediction of relative phase stability for solid-solutions and compounds. Due to its commercially important phase diagram, we showcase Al-Li system because historically density-functional theory…
There is growing evidence that the unconventional spatial inhomogeneities in the doped high-Tc superconductors are accompanied by the pairing of electrons, subsequent quantum phase transitions (QPTs), and condensation in coherent states. We…
In this communication we have studied the electronic structure, magnetic and optical properties of bcc \fecr alloys in the ferromagnetic phase. We have used the augmented space recursion technique coupled with tight-binding linearized…
We study the well-posedness and asymptotic behaviour of selected PDE-PDE and PDE-ODE systems on one-dimensional spatial domains, namely a boundary coupled wave-heat system and a wave equation with a dynamic boundary condition. We prove…
We study stability of abstract differential equations coupled by means of a general algebraic condition. Our approach is based on techniques from operator theory and systems theory, and it allows us to study coupled systems by exploiting…
By means of ab initio calculations based on the density functional theory we investigated magnetic phase diagram of ordered FePd$_3$ alloy as a function of external pressure. Considering several magnetic configurations we concluded that the…
We present a comprehensive study of the magnetic properties of Sr$_{3-x}$Y$_{x}$(Fe$_{1.25}$Ni$_{0.75}$)O$_{7-\delta}$ ($0 \leq x \leq 0.75$). Experimentally, the magnetic properties are investigated using superconducting quantum…
The equation of state (EOS) of alloys at high pressures is generalized with the cluster expansion method. It is shown that this provides a more accurate description. The low temperature EOSs of Ni-Al alloys on FCC and BCC lattices are…
The structure, dynamics and stability of Fe-Pt nanoparticles have been investigated using DFT-based techniques: total energy calculations and DFT molecular dynamics. The investigated systems included multi-shell and disordered nanoparticles…
The emergence of the orbital degree of freedom in modern orbitronics offers a promising alternative to heavy metals for the efficient control of magnetization. In this context, identifying interfaces that exhibit orbital-momentum locking…
Fe$_2$P alloys have been identified as promising candidates for magnetic refrigeration at room-temperature and for custom magnetostatic applications. The intent of this study is to accurately characterize the magnetic ground state of the…
We propose an effective model for the study of the interplay between correlation and topology by decorating the Kane-Mele model with a set of localized interacting orbitals hybridized to just one sublattice, breaking the inversion symmetry.…
A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic…
The coercivity and resistivity of a Pt/Co/AlOx/Pt junction are measured under sustained voltage application. High bias voltages of either polarity are determined to cause a strongly enhanced, reversible coercivity modification compared to…
In this work, we systematically study the electronic structure and stability of spin states of the [Fe-(tpy-ph)$_2$]$^{2+}$ molecule in both gas phase and on a Au(111) substrate using density functional theory +U (DFT+U) calculations. We…
In this article, we review the analytical and numerical approaches for computing the phase space structures in two degrees-of-freedom Hamiltonian systems that arise in chemical reactions. In particular, these phase space structures are the…
We consider a generalised non-commutative space-time in which non-commutativity is extended to all phase space variables. If strong enough, non-commutativity can affect stability of the system. We perform stability analysis on a couple of…
Many exo-solar systems discovered in the last decade consist of planets orbiting in resonant configurations and consequently, their evolution should show long-term stability. However, due to the mutual planetary interactions a multi-planet…
In this study Mo-Nb-Ta-W refractory high-entropy alloys (R-HEAs) have been studied for their phase stability for a wide temperature range (100 K to 2000 K). The equilibrium thermodynamic phases are determined by the changes in enthalpy and…