A first-principles study of the mechanical properties of AlN with Raman verification
| Autor: | Xiaodong Wen, Yiquan Dai, Sheng Liu, Gui Chengqun, Qing Peng, Weihui Wang |
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| Rok vydání: | 2016 |
| Předmět: |
Work (thermodynamics)
Materials science General Computer Science Phonon Analytical chemistry General Physics and Astronomy 02 engineering and technology 01 natural sciences Stress (mechanics) Condensed Matter::Materials Science symbols.namesake Quality (physics) 0103 physical sciences General Materials Science Coherent anti-Stokes Raman spectroscopy 010302 applied physics Condensed matter physics General Chemistry 021001 nanoscience & nanotechnology Computational Mathematics Mechanics of Materials symbols 0210 nano-technology Raman spectroscopy Single crystal Raman scattering |
| Zdroj: | Computational Materials Science. 112:342-346 |
| ISSN: | 0927-0256 |
| Popis: | We report calculation to rebuild Raman frequencies detected in Raman scattering of high quality wurtzite-type AlN bulk single crystal. Then, we use this Raman verified mode and parameters to calculate mechanical constants and phonon pressure coefficients, which are all important parameters in Raman based stress detection. The relationship between the modes used in Raman rebuilding and constants calculation are discussed in detail. We have predicted for the first time 2 a + b under different pressures. We have oberserved a new trend that 2 a + b is decreasing slightly according to the pressure, oppose to a constant as assumed. This work is a good foundation for stress/strain analysis used in film and device reliability testing. |
| Databáze: | OpenAIRE |
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