Since the discovery of superconductivity above 30 K by Bednorz and Müller in the La copper
oxide system, the critical temperature has been raised to 90 K in Y Ba 2 Cu 3 O 7 and to 110 …

The elasticity of materials is important for our understanding of processes ranging from brittle
failure, to flexure, to the propagation of elastic waves. Seismologically revealed structure of …

Phonon frequencies and eigenvectors have been computed from first principles for the three
optic F 1 u modes in BaTiO 3 using the full-potential linearized-augmented-plane-wave …

We have studied the elasticity and pressure–density equation of state of MgO in diamond
cells to 55 GPa and have doubled the previous pressure limit of accurate elasticity …

Room temperature investigations on the shear strength, elastic moduli, elastic anisotropy,
and deformation mechanisms of MgO (periclase) are performed in situ up to pressures of 47 …

A simple, universal model for structural properties of sp-bonded semiconductors and
insulators is presented. The model elucidates the physical mechanisms determining the …

The room temperature static compression of CaO has been measured in a diamond anvil
cell to 1.35 Mbar. The compression of the Bl phase and the volume change at the Bl to B2 …

We present full‐potential self‐consistent linearized augmented plane wave (LAPW)
calculations for the electronic structure and total energy of MgO and CaO, within the local …

The elastic properties and their pressure dependence of four B1-type alkaline earth oxides,
MgO, CaO, SrO, and BaO, are calculated using the ab initio full-potential linear muffin-tin …

Abstract Melting of NaCl and MgO has been simulated with a two-phase molecular
dynamics method at constant pressure using newly developed interaction potentials …