Title :
Dielectric function in semi-empirical tight-binding theory applied to crystalline diamond
Author :
Miranda, A. ; Ponomaryov, V. ; de Rivera, L.N. ; Vázquez, R. ; Cruz-Irisson, M.
Author_Institution :
Seccion de Estudios de Posgrado e Investig., Inst. Politec. Nac., Santa Ana
fDate :
June 29 2008-July 2 2008
Abstract :
A semi-empirical tight-binding theory is employed to calculate the electronic band structure and the imaginary part of the dielectric function of crystalline diamond. Also, in order to validate the parameters used in this work, we have performed calculation by means of density functional theory with the local density approximation theory. We present the dependence of the dielectric function on the photon energy within two different approaches: interatomic and intra-atomic momentum matrix elements, which are applied and compared.
Keywords :
band structure; density functional theory; diamond; dielectric function; elemental semiconductors; tight-binding calculations; C; crystalline diamond; density functional theory; dielectric function; electronic band structure; interatomic momentum matrix element; intraatomic momentum matrix element; local density approximation theory; photon energy; semiempirical tight-binding theory; Chemical elements; Crystallization; Density functional theory; Dielectrics; Electrons; Nonlinear optics; Photonic band gap; Photonic crystals; US Department of Transportation; Vectors;
Conference_Titel :
Mathematical Methods in Electromagnetic Theory, 2008. MMET 2008. 12th International Conference on
Conference_Location :
Odesa
Print_ISBN :
978-1-4244-2284-5
DOI :
10.1109/MMET.2008.4580958