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Electrical and optical properties of amorphous semiconductor films
Citations Cited By. This article is cited by 10 publications. DOI: The Journal of Physical Chemistry C , 22 , Wee-Jun Ong Guest Editor.
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- Electrical and optical properties of amorphous semiconductor films?
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Satyanarayana, Michael H. The Journal of Physical Chemistry C , 4 , Yan B. ACS Nano , 12 8 , The Journal of Physical Chemistry C , 24 , Pair your accounts.
Semiconductor and Metal Nanocrystals: Synthesis and Electronic and Optical Properties
The technique of reflectance anisotropy spectroscopy RAS is therefore a means of probing excitations of electrons localised at surfaces. Our density functional theory calculations of RAS for a range of well studied and less well understood surfaces shows that experimental RAS signals can be reproduced and attributed to electrons localised at particular atoms at the surface.
We are now investigating whether optical spectroscopies of surfaces can be used to identify high levels of specific defects at surfaces such as oxygen or cation vacancies. The approach that we use for calculating optical spectra of materials is hybrid density functional theory within a Gaussian orbital basis in the Crystal code. Hybrid density functionals allow the generic band gap problem of density functional theory to be corrected by mixing in a fixed proportion of Fock exchange.
The Gaussian orbital basis offers a fast calculation method and therefore makes large unit cells accessible.
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Here is our work on reflectance anisotropy at clean and adsorbate-covered Ge surfaces. RA at clean Si surfaces is mainly caused by dangling bond electrons in surface states localised at surface dimer atoms. It has been extensively studied, both in experiment and numerical calculations.
Our hybrid DFT approach applied to the Si -c 4x2 surface yields excellent agreement with experimental RA measurements. The figure below shows how much the RA signal from the Si surface depends on dimer order, according to our hybrid DFT calculations.