Optical and vibrational properties of 2H-, 4H-, and 6H-AlN: First-principle calculations

被引：9

作者：

Cheng, Y. C. ^{[1
,2
]}

Chen, H. T. ^{[1
,2
]}

Li, X. X. ^{[3
]}

Wu, X. L. ^{[1
,2
]}

Zhu, J. ^{[1
,2
]}

Li, S. H. ^{[4
]}

Chu, Paul K. ^{[5
]}

机构：

[1] Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China

[2] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China

[3] Zhengzhou Univ, Coll Phys Sci & Engn, Zhengzhou 450001, Peoples R China

[4] Nanjing Univ, Dept Chem, Inst Theoret & Computat Chem, Lab Mesoscop Chem, Nanjing 210093, Peoples R China

[5] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2009年 / 105卷 / 08期

关键词：

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; RAMAN-SCATTERING; ALN;

D O I：

10.1063/1.3095511

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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.

引用

页数：4

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