Elastic constants of EuF2 and SrCl2

Calculated structural, elastic and electronic properties of SrCl2

“…The results are listed in Table 3 together with experimental results from Ref. [27]. A substantial anisotropy is found for the sound velocities in the experiment, which the theory of Section 2.3 does not take into account.…”

“…The calculated ground state properties such as equilibrium lattice constant and the elastic constants are tabulated in Tables 1 and 2, where they are compared with the available experimental results [27]. The calculated lattice constant overestimates the experimental (RT value) by 0.8%, while the local density approximation (LDA) calculation of Ref.…”

“…On the other hand, there are no theoretical studies available explaining the ground state and elastic properties of this compound at ambient conditions. From the experimental side, sound velocity measurements on the single crystal SrCl 2 has been carried out by Lauer et al [27]. Hence, in the present work we investigate the electronic structure of SrCl 2 with emphasis on the ground state properties and elastic properties.…”

Density functional study of the electronic structure and lattice dynamics of SrCl2

“…Then, the self-energy operator is written as the product of the Green's function times the screened Coulomb interaction W , which gives the so-called GW approximation. Finally, the GW quasiparticle eigenvalues are obtained as a correction of the DFT eigenvalues n (k) such that [34]: b From elastic constants of [15]. c LAPW calculations using LDA of [31].…”

“…Excited state emission spectra and luminescence properties of SrCl 2 have been investigated by several authors [11][12][13][14]. Lauer et al have determined the elastic constants experimentally using ultrasonic pulse echo technique [15]. Recently, a full-potential linear muffin-tin orbital method has been used to investigate the electronic structure of SrCl 2 leading to the determination of ground state and elastic properties [16].…”