The Effect of Pressure on Elastic Anisotropy, Vibration and Optical Properties of a AgScSi Compound
| Autor: | Y. Öztekin Çiftci, I. Kars Durukan |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Materials science Solid-state physics Condensed matter physics Phonon 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Electronic Optical and Magnetic Materials Vibration Generalized gradient 0103 physical sciences Dispersion (optics) Materials Chemistry Elastic anisotropy Projector augmented wave method Condensed Matter::Strongly Correlated Electrons Electrical and Electronic Engineering 0210 nano-technology Anisotropy |
| Zdroj: | Journal of Electronic Materials. 48:4050-4056 |
| ISSN: | 1543-186X 0361-5235 |
| DOI: | 10.1007/s11664-019-07167-w |
| Popis: | We present a detailed first-principals calculation to study the elastic anisotropy, vibrational and optic properties of a AgScSi compound using the generalized gradient approximation method with the projector augmented wave method. Optical, elastic anisotropy and phonon properties of AgScSi under pressure were analyzed. The degree of anisotropy with pressure change was analyzed in 3-dimensions. The phonon dispersion curves were drawn with corresponding phonon partial density of states. The optical properties of the AgScSi compound were examined according to the pressure to explore further application properties. According to our calculations, AgScSi compound, a semiconductor material, is dynamically stable, which is favorable for optoelectronic applications. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full text from SpringerLink