Optical absorption, disorder, and hydrogen in amorphous silicon

1996 ◽  
Vol 74 (S1) ◽  
pp. 256-259 ◽  
Author(s):  
Stephen K. O'Leary ◽  
Lakhbeer S. Sidhu ◽  
Stefan Zukotynski ◽  
John M. Perz

We study how bonded hydrogen influences the optical absorption spectrum of amorphous silicon. We use a model for optical absorption in which the local form of the joint density of states is averaged over a Gaussian distribution of energy-gap fluctuations, this distribution being characterized by a mean energy gap and a standard deviation about this mean. We then fit this model to optical absorption data, and study how the modeling parameters vary with the bonded hydrogen concentration. We find that for the group of samples that we have considered, for bonded-hydrogen concentrations less than 10 at.%, we can adequately fit the data with a constant mean energy gap and a variable standard deviation that decreases with increasing bonded-hydrogen concentration. This suggests that bonded hydrogen plays a significant role in decreasing the amount of disorder in amorphous silicon.

1995 ◽  
Vol 09 (02) ◽  
pp. 95-101 ◽  
Author(s):  
KALINE COUTINHO ◽  
SYLVIO CANUTO ◽  
A. FAZZIO ◽  
R. MOTA

A cluster with 188 atoms is utilized to investigate the electronic structure of K 3 C 60 within the molecular orbital model. The calculated density of states is in excellent agreement with experimental results of photoemission and inverse photoemission. The band gap is calculated using three different schemes and the results indicate a metallic system. The optical absorption spectrum is calculated from a CI procedure and indicates transitions below 15000 cm –1 not present in pristine C 60.


1996 ◽  
Vol 420 ◽  
Author(s):  
S. K. O'Leary ◽  
S. Zukotynski ◽  
J. M. Perz ◽  
L. S. Sidhu

AbstractThe role that disorder plays in shaping the form of the optical absorption spectrum of hydrogenated amorphous silicon is investigated. Disorder leads to a redistribution of states, which both reduces the ‘Tauc’ gap and broadens the absorption tail. The observed relationship between the ‘Tauc’ gap and the breadth of the absorption tail is thus explained.


1998 ◽  
Vol 76 (4) ◽  
pp. 411-413
Author(s):  
Yixing Zhao ◽  
Gordon R Freeman

The energy and asymmetry of the optical absorption spectrum of solvated electrons, es- , change in a nonlinear fashion on changing the solvent through the series HOH, CH3OH, CH3CH3OH, (CH3)2CHOH, (CH3)3COH. The ultimate, quantum-statistical mechanical, interpretation of solvated electron spectra is needed to describe the solvent dependence. The previously reported optical spectrum of es- in tert-butanol was somewhat inaccurate, due to a small amount of water in the alcohol and to limitations of the infrared light detector. The present note records the remeasured spectrum and its temperature dependence. The value of the energy at the absorption maximum (EAmax) is 155 zJ (0.97 eV) at 299 K and 112 zJ (0.70 eV) at 338 K; the corresponding values of G epsilon max (10-22 m2 aJ-1) are 1.06 and 0.74. These unusually large changes are attributed to the abnormally rapid decrease of dielectric permittivity of tert-butanol with increasing temperature. The band asymmetry at 299 K is Wb/Wr = 1.8.Key words: optical absorption spectrum, solvated electron, solvent effects, tert-butanol, temperature dependence.


2016 ◽  
Vol 109 (26) ◽  
pp. 263104 ◽  
Author(s):  
Baomin Wang ◽  
Xuewei Cao ◽  
Zhan Wang ◽  
Yong Wang ◽  
Kaihui Liu

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