The microscopic structure and electronic properties of amorphous silicon carbide at stoichiometric composition have been investigated with ab-initio molecular dynamics simulations. Our results show that a-SiC can be classified neither as chemically ordered nor as completely random and has a structure much more complex than commonly believed. Our data also indicate that a detailed analysis of each atomic species is crucial to the understanding of the material properties.
CHEMICAL ORDER IN AMORPHOUS COVALENT ALLOYS - A THEORETICAL-STUDY OF A-SiC / F., Finocchi; G., Galli; M., Parrinello; Bertoni, Carlo Maria. - In: PHYSICA. B, CONDENSED MATTER. - ISSN 0921-4526. - STAMPA. - 185:(1993), pp. 379-383. [10.1016/0921-4526(93)90264-7]
CHEMICAL ORDER IN AMORPHOUS COVALENT ALLOYS - A THEORETICAL-STUDY OF A-SiC
BERTONI, Carlo Maria
1993
Abstract
The microscopic structure and electronic properties of amorphous silicon carbide at stoichiometric composition have been investigated with ab-initio molecular dynamics simulations. Our results show that a-SiC can be classified neither as chemically ordered nor as completely random and has a structure much more complex than commonly believed. Our data also indicate that a detailed analysis of each atomic species is crucial to the understanding of the material properties.
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