Electronic structure of doped fourfold coordinated amorphous semiconductors. Midgap states in amorphous carbon

K. Kadas, G. Ferenczy

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Midgap states have been studied in phosphorus-doped, tetrahedrally coordinated amorphous carbon by means of the Fragment Self-Consistent Field method (FSCF). It has been found that the midgap energy levels are primarily determined by the relative position of dopants. A simple linear correlation has been obtained between the highest occupied molecular orbital (HOMO) energy of the model clusters and the inverse distance of impurities.

Original languageEnglish
Pages (from-to)175-180
Number of pages6
JournalJournal of Molecular Structure: THEOCHEM
Volume463
Issue number1-2
DOIs
Publication statusPublished - Apr 23 1999

Fingerprint

Amorphous semiconductors
Semiconductors
amorphous semiconductors
Amorphous carbon
Molecular orbitals
Phosphorus
Electron energy levels
Electronic structure
self consistent fields
phosphorus
molecular orbitals
Carbon
energy levels
Doping (additives)
fragments
Impurities
electronic structure
impurities
carbon
energy

Keywords

  • Amorphous carbon
  • Fragment self-consistent field (FSCF)
  • Midgap states
  • Phosphorus

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics
  • Atomic and Molecular Physics, and Optics

Cite this

Electronic structure of doped fourfold coordinated amorphous semiconductors. Midgap states in amorphous carbon. / Kadas, K.; Ferenczy, G.

In: Journal of Molecular Structure: THEOCHEM, Vol. 463, No. 1-2, 23.04.1999, p. 175-180.

Research output: Contribution to journalArticle

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