Anisotropy of the mobility of pentacene from frustration

Gilles A. De Wijs; Christine C. Mattheus; Robert A. De Groot; Thomas T.M. Palstra

doi:10.1016/S0379-6779(03)00020-1

Anisotropy of the mobility of pentacene from frustration

Gilles A. De Wijs^*, Christine C. Mattheus, Robert A. De Groot, Thomas T.M. Palstra

^*Corresponding author for this work

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

130 Citations (Scopus)

Abstract

The bandstructure of pentacene is calculated using first-principles density functional theory. A large anisotropy of the hole and electron effective masses within the molecular planes is found. The band dispersion of the HOMO and the LUMO is analyzed with the help of a tight-binding (TB) fit. The anisotropy is shown to be intimately related to the herringbone structure.

Original language	English
Pages (from-to)	109-114
Number of pages	6
Journal	Synthetic metals
Volume	139
Issue number	1
DOIs	https://doi.org/10.1016/S0379-6779(03)00020-1
Publication status	Published - 8 Aug 2003
Externally published	Yes

Keywords

Anisotropy
Bandstructure
Effective mass
Mobility
Pentacene

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10.1016/S0379-6779(03)00020-1

Cite this

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abstract = "The bandstructure of pentacene is calculated using first-principles density functional theory. A large anisotropy of the hole and electron effective masses within the molecular planes is found. The band dispersion of the HOMO and the LUMO is analyzed with the help of a tight-binding (TB) fit. The anisotropy is shown to be intimately related to the herringbone structure.",

keywords = "Anisotropy, Bandstructure, Effective mass, Mobility, Pentacene",

author = "{De Wijs}, {Gilles A.} and Mattheus, {Christine C.} and {De Groot}, {Robert A.} and Palstra, {Thomas T.M.}",

year = "2003",

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AU - De Wijs, Gilles A.

AU - Mattheus, Christine C.

AU - De Groot, Robert A.

AU - Palstra, Thomas T.M.

PY - 2003/8/8

Y1 - 2003/8/8

N2 - The bandstructure of pentacene is calculated using first-principles density functional theory. A large anisotropy of the hole and electron effective masses within the molecular planes is found. The band dispersion of the HOMO and the LUMO is analyzed with the help of a tight-binding (TB) fit. The anisotropy is shown to be intimately related to the herringbone structure.

AB - The bandstructure of pentacene is calculated using first-principles density functional theory. A large anisotropy of the hole and electron effective masses within the molecular planes is found. The band dispersion of the HOMO and the LUMO is analyzed with the help of a tight-binding (TB) fit. The anisotropy is shown to be intimately related to the herringbone structure.

KW - Anisotropy

KW - Bandstructure

KW - Effective mass

KW - Mobility

KW - Pentacene

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DO - 10.1016/S0379-6779(03)00020-1

M3 - Article

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EP - 114

JO - Synthetic metals

JF - Synthetic metals

SN - 0379-6779

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ER -

Anisotropy of the mobility of pentacene from frustration

Abstract

Keywords

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