Density Functional Theory of Chlorine-Bridged Platinum Complexes : Monomer, Chain, and Two-Leg Ladders(Condensed matter: electronic structure and electrical, magnetic, and optical properties)

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概要

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• Novel halogen-bridged platinum complexes, namely, their two-leg ladder versions, have been synthesized for the first time and their basic properties including optical spectra are now available. Motivated by this progress, we investigate chlorine-bridged systems by density-functional-theory calculations. Our scope is over various geometrical types such as a monomer, a single chain, and ladders. We treat not only ground states but also excited states, calculating optical conductivity spectra, which show features specific to the ladder systems. As a result of a comparison with the experimental spectra, an overall agreement is at least qualitatively attained and a new mechanism of hole photo-doping is proposed.

• 社団法人日本物理学会の論文
• 2007-06-15

著者

• SHIMOI Yukihiro

  Nanotechnology Research Institute (NRI) and Synthetic Nano-Function Materials Project (SYNAF), Natio

• Iwano Kaoru

  Graduate University For Advanced Studies Institute Of Materials Structure Science High Energy Accele

• Shimoi Yukihiro

  Nanotechnology Research Institute (nri) National Institute Of Advanced Industrial Science And Techno

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• Electron Spin Resonance of Field-Induced Polarons in Regioregular Poly(3-alkylthiophene) Using Metal-Insulator-Semiconductor Diode Structures(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
• Density Functional Theory of Chlorine-Bridged Platinum Complexes : Monomer, Chain, and Two-Leg Ladders(Condensed matter: electronic structure and electrical, magnetic, and optical properties)

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