Regensburg 1998 – scientific programme

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HL: Halbleiterphysik

HL 17: Symposium: Kohlenstoffhaltige Halbleiterschichten

HL 17.3: Fachvortrag

Tuesday, March 24, 1998, 11:30–12:00, H1

Correlations between microstructure and electronic properties in amorphous carbon based materials — •Thomas Frauenheim, Thomas K"ohler, and Gerd Jungnickel — Institut f"ur Physik, Technische Universit"at, D-09107 Chemnitz

We describe the present status of molecular-dynamics modelling of amorphous carbon materials and the atomic level insights, particulary for the electronic structure, that such investigations have furnished. The main factors influencing chemical bonding will be discussed, namely the atomic density, the annealing time for structural relaxation and the incorporated hydrogen or other atom-type fraction. By comparing the π-orbital characteristics, such as HOMO-LUMO gaps and defect states, we define the conditions for electronically high quality carbon materials that would allow for both shallow p- and n-type doping.