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 …

This review paper focuses on dislocations and plastic deformation in magnesium oxide
crystals. MgO is an archetype ionic ceramic with refractory properties which is of interest in …

A symmetry-general approach for the least-squares, therefore precise, extraction of elastic
coefficients for strained materials is reported. It analyzes stresses calculated ab initio for …

4.1 Introduction 51 4.2 Elastic constants 52 4.3 Isothermal versus adiabatic elastic constants
55 4.4 Experimental techniques 57 4.5 Some general trends in elasticity: Birch's law 59 4.6 …

We report total energy and electronic structure calculations for ZnO in the B4 (wurtzite), B3
(zinc blende), B1 (rocksalt), and B2 (CsCl) crystal structures over a range of unit cell …

Pressure-induced elastic instabilities are investigated in the prototypic ionic and covalent
solids (MgO, CaO, and Si) using generalized elastic stability criteria based on the elastic …

Structural, mechanical and electronic properties of Laves phases Al 2 Zr and Al 2 Hf with
C14-type structure were investigated by performing the first-principle calculations. The …

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 …

In this section the contribution of CPO to seismic anisotropy in the deep Earth with cases of
olivine and the role of melt is illustrated. The CPO in rocks of upper-mantle origin is now well …

We report ab initio computer modeling of the high-pressure cubic forms of Zr 3 N 4 and Hf 3
N 4. Equilibrium structural parameters were derived at 0 K and zero pressure for different …