作者: D. R. McKENZIE , E. G. GERSTNER , A. R. MERCHANT , D. G. McCULLOCH , P. E. GOA
DOI: 10.1142/S0217979200000236
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摘要: The introduction of nitrogen dopant sites into tetrahedral amorphous carbon produces changes in the structure and electronic density states that can be modelled using molecular dynamics. In this work we use both a tight-binding approach Car-Parrinello functional theory approach. comparison these, found former tends to overestimate strain energy 3 membered rings relative latter experiment, explaining reduced occurrence networks simulated tight-binding. Experiment shows at approximately 3% nitrogen, network begins change rapidly with content. form, an additional conduction mode is experimentally, Poole-Frenkel type, which turned on off will. by negative voltage excursion quenched positive one. This bistability exploited produced simple new type memory device h...