Alexey T. Zayak

TL;DR: In this article, the authors have modelled the phase diagram of magnetic shape memory alloys of the Heusler type by using the phenomenological Ginzburg-Landau theory and found that the driving force for structural transformations is considerably enhanced by the extremely low lying optical modes of Ni, which interfere with the acoustical modes enhancing phonon softening of the TA2 mode.

TL;DR: In this paper, the structural, electronic, and magnetic properties of thin-film structures were investigated using density functional theory within the local spin density approximation, and the magnitude of orthorhombic distortion in the ground state was examined.

TL;DR: In this article, first-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys and to identify the characteristic features leading to structural instabilities.

TL;DR: Using first-principles theory and experiments, chemical contributions to surface-enhanced Raman Spectroscopy for a well-studied organic molecule, benzene thiol, chemisorbed on planar Au(111) surfaces are explained and quantified.

TL;DR: In this article, a complete softening of the transverse-acoustic mode has been found around the wave vector, which leads to the premartensitic modulated superstructure observed experimentally.