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Acta Physica Sinica (Overseas Edition), 1997, Vol. 6(8): 597-605    DOI: 10.1088/1004-423X/6/8/005
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

ELECTRONIC AND OPTICAL PROPERTIES OF WURTZITE GaN:——A THEORETICAL APPROACH

YANG ZHONG-QIN (杨中芹), XU ZHI-ZHONG (徐至中)
State Key Laboratory of Applied Surface Physics and T.D. Lee Physics Laboratory, Fudan University, Shanghai 200433, China
Abstract  The band structures of wurtzite GaN($\alpha$-GaN) are studied using the nearest and second-nearest neighbour semi-empirical tight-hinding method in sp3 s* model. The calculated direct fundamental gap of $\alpha$-GaN is 3.45 eV, which is in good agreement with the experimental data. The density of states and the imaginary pert of dielectric function ($\varepsilon$2 ($\omega$)) are evaluated to he in the regions - 10.0 - 12 eV and (1.0 - 10.0 eV, respectively. There are mainly three peaks at 6,4, 7,5, 8.4 eV, dominating the ($\varepsilon$2 ($\omega$)) spectrum. The two components of the ($\varepsilon$2 ($\omega$)) (i. e. $\varepsilon$2xy($\omega$) and $\varepsilon$2z($\omega$) ) are also calculated; and the real prat of dielectric function, reflectivity, absorption coefficient, and refractive index are all studied.
Received:  19 June 1996      Revised:  16 October 1996      Accepted manuscript online: 
PACS:  71.20.Nr (Semiconductor compounds)  
  71.15.Ap (Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.))  
  71.45.Gm (Exchange, correlation, dielectric and magnetic response functions, plasmons)  
  78.20.Ci (Optical constants (including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity))  
Fund: Project supported by the National Natural Science Foundation of China.

Cite this article: 

YANG ZHONG-QIN (杨中芹), XU ZHI-ZHONG (徐至中) ELECTRONIC AND OPTICAL PROPERTIES OF WURTZITE GaN:——A THEORETICAL APPROACH 1997 Acta Physica Sinica (Overseas Edition) 6 597

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