Structural, Elastic, Electronic, Dynamic, and Thermal Properties of SrAl₂O₄ with an Orthorhombic Structure Under Pressure.

ABSTRACT: Its outstanding mechanical and thermodynamic characteristics make SrAl₂O₄ a highly desirable ceramic material for high-temperature applications. However, the effects of elevated pressure on the structural and other properties of SrAl₂O₄ are still poorly understood. This study encompassed structural, elastic, electronic, dynamic, and thermal characteristics. Band structure calculations indicate that the direct band gap of SrAl₂O₄ is 4.54 eV. In addition, the Cauchy pressures provide evidence of the brittle characteristics of SrAl₂O₄. The mechanical and dynamic stability of SrAl₂O₄ is evident from the accurate determination of its elastic constants and phonon dispersion relations. In

SUBMITTER: Guo H 

PROVIDER: S-EPMC11547771 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature