Calculation of dielectric and Piezoelectric properties for Zinc-Oxide by Molecular Simulation

분자 시뮬레이션법에 의한 ZnO 유전.압전 특성 계산

  • 노희종 (한양대 대학원 전기공학과) ;
  • 김지환 (한양대 대학원 전기공학과) ;
  • 박정호 (한양대 대학원 전기공학과) ;
  • 하덕용 (한양대 대학원 전기공학과) ;
  • 고광철 (한양대 전자전기공학부) ;
  • 강형부 (한양대 전자전기공학부)
  • Published : 1997.07.21

Abstract

The necessity of this work is described with present problems in the application of computer simulation methods to electrical material research. Author proposes and develops method which can calculate properties such as dielectric and piezoelectric constants for ZnO. The method based on ab-initio method. It is found that these properties can be calculated with a good precision by this method.

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