Theoretical Study of PDP Materials

  • Miyamoto, Akira (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, New Industry Creation Hatchery Center, Tohoku University) ;
  • Onuma, Hiroaki (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Kikuchi, Hiromi (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Tsuboi, Hideyuki (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Koyama, Michihisa (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Endou, Akira (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Takaba, Hiromitsu (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Kubo, Momoji (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, PRESTO, Japan Science and Technology Agency) ;
  • Carpio, Carlos A.Del (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Selvam, Parasuraman (New Industry Creation Hatchery Center, Tohoku University, Department of Chemistry, IIT-Bombay) ;
  • Kajiyama, Hiroshi (Institute of Industrial Science, University of Tokyo)
  • Published : 2006.08.22

Abstract

A novel quantum chemical molecular dynamics program, 'Colors' was developed to simulate the electronic structure of rare earth-doped phosphor materials as well as the destruction processes of MgO protecting layer in plasma display panel (PDP). We have also developed a quantitative prediction method based on Monte Carlo simulation technique to evaluate the electrical conductivity of insulators, semiconductors, and metals as well as the spatial distribution of electron density by Colors code. All these original simulators enable us to study theoretically a variety of materials related to PDP.

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