Journal
JOURNAL OF APPLIED PHYSICS
Volume 105, Issue 8, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3095511
Keywords
ab initio calculations; aluminium compounds; band structure; density functional theory; III-V semiconductors; infrared spectra; pseudopotential methods; Raman spectra; vibrational modes; wide band gap semiconductors
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Funding
- Nanjing University
- National and Jiangsu Natural Science Foundations [60876058, 60721063, BK2008020, BK2006715]
- Major State Basic Research Projects of China [2006CB921803, 2007CB936301, CityU 112608]
- Hong Kong Research Grants Council (RGC)
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The optical and vibrational properties of 2H-, 4H-, and 6H-AlN are studied based on the ab initio pseudopotential density functional theory. Three polymorphs have similar electronic and optical properties implying that 4H- and 6H-AlN are also of importance to optoelectronics. Infrared spectra of the three polymorphs show two main modes at 660 and 690 cm(-1) and an additional mode at 570 cm(-1) can only be observed from 4H- and 6H-AlN. The Raman spectra of 4H- and 6H-AlN show more active modes than that of 2H-AlN. These infrared and Raman features can be used as the fingerprints to distinguish the three polymorphs.
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