Work

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

Year: 2024

Type: article

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 addition, a comprehensive analysis was conducted of the relationship between specific heat and entropy concerning temperature variations.

Source: Molecules

DOI: 10.3390/molecules29215192

Authors: Hongli Guo, Huanyin Yang, Suihu Dang, Shunru Zhang, Haijun Hou

Institutions: Yangtze Normal University, Huaihua University, Yancheng Institute of Technology

Language: English

Topic: High-pressure geophysics and materials

Subfield: Geophysics

Field: Earth and Planetary Sciences

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $3,069

Funder: Chongqing Municipal Education Commission