Electronic structure and nonlinear optical properties of fullerenes

Z. Shuai; J. L. Brédas

doi:10.1016/0379-6779(93)90065-5

Electronic structure and nonlinear optical properties of fullerenes

Z. Shuai^*, J. L. Brédas

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

We discuss the lattice relaxation upon doping of fullerens C₆₀ and C₇₀, using a Longuet-Higgins-Salem model and we calculate the A₈-type vibrational modes. We then exploit the VEH (valence effective Hamiltonian) method to study the electronic structures of the fullerenes. The valence electronic DOS (densities of states) are calculated to be in excellent agreement with synchrotron photoemission experiments. We apply the VEH/SOS (Sum-Over-States) approach to study the nonlinear optical response of C₆₀ and C₇₀.

Original language	English (US)
Pages (from-to)	2973-2978
Number of pages	6
Journal	Synthetic Metals
Volume	56
Issue number	2-3
DOIs	https://doi.org/10.1016/0379-6779(93)90065-5
State	Published - Apr 5 1993
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/0379-6779(93)90065-5

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title = "Electronic structure and nonlinear optical properties of fullerenes",

abstract = "We discuss the lattice relaxation upon doping of fullerens C60 and C70, using a Longuet-Higgins-Salem model and we calculate the A8-type vibrational modes. We then exploit the VEH (valence effective Hamiltonian) method to study the electronic structures of the fullerenes. The valence electronic DOS (densities of states) are calculated to be in excellent agreement with synchrotron photoemission experiments. We apply the VEH/SOS (Sum-Over-States) approach to study the nonlinear optical response of C60 and C70.",

author = "Z. Shuai and Br{\'e}das, {J. L.}",

year = "1993",

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T1 - Electronic structure and nonlinear optical properties of fullerenes

AU - Shuai, Z.

AU - Brédas, J. L.

PY - 1993/4/5

Y1 - 1993/4/5

N2 - We discuss the lattice relaxation upon doping of fullerens C60 and C70, using a Longuet-Higgins-Salem model and we calculate the A8-type vibrational modes. We then exploit the VEH (valence effective Hamiltonian) method to study the electronic structures of the fullerenes. The valence electronic DOS (densities of states) are calculated to be in excellent agreement with synchrotron photoemission experiments. We apply the VEH/SOS (Sum-Over-States) approach to study the nonlinear optical response of C60 and C70.

AB - We discuss the lattice relaxation upon doping of fullerens C60 and C70, using a Longuet-Higgins-Salem model and we calculate the A8-type vibrational modes. We then exploit the VEH (valence effective Hamiltonian) method to study the electronic structures of the fullerenes. The valence electronic DOS (densities of states) are calculated to be in excellent agreement with synchrotron photoemission experiments. We apply the VEH/SOS (Sum-Over-States) approach to study the nonlinear optical response of C60 and C70.

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U2 - 10.1016/0379-6779(93)90065-5

DO - 10.1016/0379-6779(93)90065-5

M3 - Article

AN - SCOPUS:43949169738

SN - 0379-6779

VL - 56

SP - 2973

EP - 2978

JO - Synthetic Metals

JF - Synthetic Metals

IS - 2-3

ER -

Electronic structure and nonlinear optical properties of fullerenes

Abstract

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