3 papers
Combining Frozen Trajectory Excitation and TACAW for in silico Time-Resolved Vibrational Electron Energy Loss/Gain Spectroscopy
Wojciech Marciniak, Joanna Marciniak, José Ángel Castellanos-Reyes +1
Seeing that ultrafast (picosecond timescale) vibrational electron energy loss spectroscopy (EELS) should soon be experimentally realizable, we present in silico approach capable of…
Giant magnetocrystalline anisotropy energy in Fe--Co alloy under uniaxial compression: first-principles prediction
Wojciech Marciniak, Joanna Marciniak, José Ángel Castellanos-Reyes +1
Uniaxially strained Fe--Co disordered alloys have emerged as promising candidates for cost-effective rare-earth-free permanent magnets due to their high magnetocrystalline anisotro…
Mode-Dependent Phonon Relaxation in fcc Ni: Insights from Molecular Dynamics Simulations with Frozen-Trajectory Excitations
Wojciech Marciniak, Joanna Marciniak, José Ángel Castellanos-Reyes +1
We present a computational method and apply it to study phonon relaxation in face-centered cubic (fcc) nickel (Ni). The phonons are excited beyond their thermal equilibrium populat…