The lattice vibrations (phonon modes) of crystals underpin a large number of material
properties. The harmonic phonon spectrum of a solid is the simplest description of its …

Thermodynamics is a science concerning the state of a system, whether it is stable,
metastable or unstable, when interacting with the surroundings. In this overview …

To address the unsatisfactory pressure sensitivity of luminescent manometers, Eu2+‐
activated supersensitive microspheres operating in the visible range are developed. A …

While the Born elastic stability criteria are well known for cubic crystals, there is some
confusion in the literature about the form they should take for lower-symmetry crystal …

Elastic stability is the basis for understanding structural responses to external stimuli in
crystalline solids, including melting, incipient plasticity and fracture. In this work, elastic …

Elastic stability criteria are widely employed to prove the being of the lattice. Sin'ko and
Smirnov have reported the applicable criteria under isotropic pressure and given the …

Computationally characterizing magnetic properies of novel two-dimensional (2D) materials
serves as an important first step of exploring possible applications. Using density-functional …

Abstract Mg-8Li-4Y–2Er-2Zn-0.6 Zr alloy with high dam**, elastic modulus and
mechanical properties was prepared by heat treatment and cold rolling. 18R-type long …

We have developed a thorough and accurate method of determining anharmonic free
energies, the temperature dependent effective potential technique (TDEP). It is based on ab …

Harmonic calculations based on density-functional theory are generally the method of
choice for the description of phonon spectra of metals and insulators. The inclusion of …