The Electronic Structure of Copper Oxide Crystalline Compounds: I. LUC‐CNDO Approach to the Electronic Structure of Cu2O and CuO Crystals

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

Abstract

LUC‐CNDO computation scheme and its valence theory applications are discussed. Electronic structure calculations of well‐known semiconductors Cu2O are reviewed. The parameters of CNDO scheme for copper–oxygen compounds are calibrated using the results of Cu2O band theory calculations and experimental data.

Detaljer

Författare
Externa organisationer
  • Saint Petersburg State University
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Teoretisk kemi
Originalspråkengelska
Sidor (från-till)281-291
Antal sidor11
Tidskriftphysica status solidi (b)
Volym157
Utgåva nummer1
StatusPublished - 1990 jan 1
PublikationskategoriForskning
Peer review utfördJa
Externt publiceradJa