Phonon properties of protonic conductor SrZrO3 in cubic phase

✍ Scribed by M.M. Sinha; Anupamdeep Sharma

• Publisher: Elsevier Science
• Year: 2009
• Tongue: English
• Weight: 158 KB
• Volume: 404
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2008.11.095

✦ Synopsis

Strontium zirconate has an orthorhombic structure at room temperature and undergoes a sequence of structural phase transition. SrZrO 3 has a rather high melting temperature of about 2647 1C and consequently it is cubic in a wide range of temperature where most of its applications take place. In this work, we are reporting the results of our theoretical investigation on the phonon properties of SrZrO 3 in its cubic phase by using lattice dynamical simulation method based on de Launey angular force (DAF) constant model to understand the role of phonon in this system. The calculated zone center frequencies agree well with available results. The phonon dispersion curves of SrZrO 3 in cubic phase are also drawn. The present calculation gives rise to softening of acoustical mode at zone boundary along [qqq] direction. The calculated results are compared and analyzed with other results.