Structure and physical properties of paracrystalline atomistic models of amorphous silicon
نویسندگان
چکیده
منابع مشابه
Structure and physical properties of paracrystalline atomistic models of amorphous silicon
We have examined the structure and physical properties of paracrystalline molecular dynamics models of amorphous silicon. Simulations from these models show qualitative agreement with the results of recent mesoscale fluctuation electron microscopy experiments on amorphous silicon and germanium. Such agreement is not found in simulations from continuous random network models. The paracrystalline...
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We present a procedure for the preparation of physically realistic models of paracrystalline silicon based on a modification of the bond-switching method of Wooten, Winer, and Weaire. The models contain randomly oriented c-Si grains embedded in a disordered matrix. Our technique creates interfaces between the crystalline and disordered phases of Si with an extremely low concentration of coordin...
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The nature of the band-tail states in amorphous semiconductors is of both fundamental and applied interest. Since the seminal work of Anderson [1] it has been known that disorder induces localization of electron states. The detailed understanding of this has been a field of tremendous activity in condensed matter theory. In the parlance of amorphous semiconductors, the nature of the electron lo...
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We present a theoretical study of hydrogenated amorphous silicon nitride a-SiNx :H , with equal concentrations of Si and N atoms x=1 , for two considerably different densities 2.0 and 3.0 g /cm3 . Densities and hydrogen concentration were chosen according to experimental data. Using first-principles molecular-dynamics within density-functional theory the models were generated by cooling from th...
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ژورنال
عنوان ژورنال: Journal of Applied Physics
سال: 2001
ISSN: 0021-8979,1089-7550
DOI: 10.1063/1.1407319