Abstract
The anisotropy and phonon focusing of MgS are investigated through continuously elastic medium theory and physical acoustics theory in the solid state. The anisotropy and phonon propagation are theoretically researched in three–dimensional figures and their projections. The contours of three dimensional slowness surfaces give insights into the mixing of longitudinal modes and transverse modes, and show the origin of the phonon caustics due to the fact that the phonon phase velocity and group velocity are generally not collinear in elastically anisotropic crystals. The comparative investigations between anisotropy and slowness show that the propagation of elastic wave is affected by the elastic anisotropy of the lattice, and the phonon caustics “walk along” the extreme direction of elastic anisotropy.
Highlights
Belonging to the wide-gap binary ANB8-N semiconductors, the properties of II–VI compounds have attracted the interest of researchers for over 30 years because of their wide band gap character and the potential applications for optoelectronic devices (Côté, Zakharov, Rubio, & Cohen, 1997; Lee & Chang, 1995)
The magnesium of MgS has been investigated (Rached et al, 2003) using the full-potential linear muffin–tin orbital (FP–LMTO) method augmented by a plane wave (PLW) basis
To provide specific examples of the focusing features typical of each regime, the slowness surfaces of MgS were examined in detail
Summary
Belonging to the wide-gap binary ANB8-N semiconductors, the properties of II–VI compounds have attracted the interest of researchers for over 30 years because of their wide band gap character and the potential applications for optoelectronic devices (Côté, Zakharov, Rubio, & Cohen, 1997; Lee & Chang, 1995). MgS is a wide–band–gap semiconductor (the band gap certainly exceeds 4.5eV at room temperature). The phase transition of MgS was studied (Kalpana, Palanivel, Thomas, & Rajagopalan, 1996; Sahraoui, Zerroug, Louail, & Maouche, 2007) based on linear muffin-tin orbital method in its tight binding representation (TBLMTO) and the generalized gradient approximation within the density functional theory (DFT). The magnesium of MgS has been investigated (Rached et al, 2003) using the full-potential linear muffin–tin orbital (FP–LMTO) method augmented by a plane wave (PLW) basis. The electronic structures (Ching, Gan, & Huang, 1995) and lattice dynamics (Wolverson et al, 2001) of MgS have been studied using the full potential linearised augmented plane wave (FPLAPW) method and tight binding linear muffin tin orbital method, respectively
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