Theoretical investigation of the Zinc-Pthalocyanine in the alpha-Polymorph: Effect of the dispersion forces on lattice constants and electronic properties

Presentation information

Oral presentation

12. Organic Molecules and Bioelectronics » 12.2 Evaluation and basic properties

Wed. Mar 19, 2014 9:00 AM - 11:45 AM E16 (E304)

9:45 AM - 10:00 AM

^○Susumu Yanagisawa¹, Takeshi Inaoka¹, Kunihiko Yamauchi², Tamio Oguchi², Ikutaro Hamada³ (Univ. of the Ryukyus¹, ISIR, Osaka Univ.², MANA, NIMS³)

Keywords:亜鉛フタロシアニン結晶,バンド構造,ファンデルワールス相互作用