Reverse Monte Carlo modeling of amorphous silicon
نویسندگان
چکیده
An implementation of the reverse Monte Carlo algorithm is presented for the study of amorphous tetrahedral semiconductors. By taking into account a number of constraints that describe the tetrahedral bonding geometry along with the radial distribution function, we construct a model of amorphous silicon using the reverse Monte Carlo technique. Starting from a completely random configuration, we generate a model of amorphous silicon containing 500 atoms closely reproducing the experimental static structure factor and bond angle distribution and in improved agreement with electronic properties. Comparison is made to existing reverse Monte Carlo models, and the importance of suitable constraints beside experimental data is stressed.
منابع مشابه
Amorphous Silicon Flat Panel Imagers for Medical Application
A new gamma camera based on hydrogenated amorphous silicon (a-Si:H) pixel arrays to be used in nuclear medicine is introduced. Various performance characteristics of a-Si:H imagers are reviewed and compared with those of currently used equipment. An important component in the a-Si:H imager is the scintillator screen. A new approach for fabrication of high resolution CsI(Tl) scintillator layers,...
متن کاملComment on "The local structure of amorphous silicon".
Treacy and Borisenko (Reports, 24 February 2012, p. 950) argue from reverse Monte Carlo modeling of electron diffraction and fluctuation electron microscopy data that amorphous silicon is paracrystalline and not described by a continuous random network. However, their models disagree with high-resolution x-ray measurements and other evidence, whereas the agreement with fluctuation electron micr...
متن کاملSimulation of a Neutron Detector for Real Time Imaging Applications
Monte Carlo Method is used to simulate a double layer gadolinium-amorphous silicon thermal neutron detector. The detector fabricated in pixel array configuration has various applications including neutron imaging. According to the simulation results, a detector consisting of a gadolinium (Gd) film with thickness of 2-4 ~m, sandwiched properly with two layers of sufficiently thick (-30 ?µm) hydr...
متن کاملUnusual atomic arrangements in amorphous silicon
The existence of small bond angles (like those of triangles and squares) in amorphous silicon networks were studied by the tight-binding molecular dynamics method, by analyzing the statistical data of Si–Si–Si fragments inside large molecules, and also by the Reverse Monte-Carlo simulation method. The influence of small bond angles on the electronic density of states was revealed. q 2003 Elsevi...
متن کاملTesting the Reverse Monte Carlo Method Using Scattering Data from Amorphous Ni2Zr
Many efforts have been made in the last years to obtain information about the short medium range structure of metallic glasses by neutron and X-ray scattering techniques which provide the total distribution function g(r). Moreover, by using neutron scattering with isotopic substitutions or anomalous X-ray scattering, it is possible to perform, in some favourable cases, the separation of the thr...
متن کامل