Band Structure of Quasi-1-Dimensional Polycondensed π-Systems, 4A)Energy Spectra of a Class of 1-D Ladder Type Polymers

Starting from the extensional Su–Schrieffer–Heeger model taking into account the effects of interchain coupling, we have studied the energy spectra and electronic states of soliton excitation in polyacene. The dimerized displacement u0 is found to be similar to the case of trans-polyacetylene, and equals to 0.04 Å. The energy-band gap is 0.38 eV, in agreement with the results derived by other authors. Two new bound electronic states have been found in the conduction band and in the valence band, which is different from the one of trans-polyacetylene. There exists two degenerate soliton states in the center of energy gap. Furthermore, the distribution of charge density and spin density have been discussed in detail.

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Band structure of quasi-1D polycondensed hydrocarbons II. Energy spectra of ribbon polymers in relation to graphite

Synthetic Metals ◽

10.1016/0379-6779(93)90891-y ◽

1993 ◽

Vol 53 (2) ◽

pp. 205-225 ◽

Cited By ~ 13

Author(s):

Nikolai Tyutyulkov ◽

Stoyan Karabunarliev ◽

Klaus Müllen ◽

Martin Baumgarten

Keyword(s):

Band Structure ◽

Energy Spectra

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Spin–Parity Combinations in 22Ne

Canadian Journal of Physics ◽

10.1139/p71-077 ◽

1971 ◽

Vol 49 (5) ◽

pp. 594-600 ◽

Cited By ~ 17

Author(s):

R. W. Ollerhead ◽

G. F. R. Allen ◽

A. M. Baxter ◽

B. W. J. Gillespie ◽

J. A. Kuehner

Keyword(s):

Band Structure ◽

Alpha Particles ◽

Energy Spectra ◽

Spin Parity ◽

Unnatural Parity ◽

Natural Parity

Detection of inelastically scattered alpha particles near 180° from the reaction 22Ne(α,α′)22Ne has been used to identify natural parity levels in 22Ne. Energy spectra were recorded for ten incident energies from 16.5–21.0 MeV in steps of 500 keV. Levels at 4.46, 5.52, and 5.92 MeV have been identified as having natural parity, leading to definite assignments of 2+, 4+, and 2+ respectively. Levels at 5.14 and 5.64 MeV have been identified as having unnatural parity, implying assignments of 2− and 3+ respectively. Tentative assignments are suggested for other levels, and the implications of the present assignments with regard to the identification of band structure in 22Ne are discussed.

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Band structure of quasi-1-dimensional polycondensed π-systems, 3 energy spectra of anti-aromatic polymers

Macromolecular Theory and Simulations ◽

10.1002/mats.1994.040030119 ◽

1994 ◽

Vol 3 (1) ◽

pp. 241-253 ◽

Cited By ~ 3

Author(s):

Fritz Dietz ◽

Klaus Müllen ◽

Martin Baumgarten ◽

Nikolai Tyutyulkov

Keyword(s):

Band Structure ◽

Energy Spectra ◽

Aromatic Polymers

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THE FIBONACCI QUASICRYSTAL RECONSIDERED: VARIETY OF ENERGY SPECTRA FOR CONTINUOUS SCHRÖDINGER EQUATIONS WITH SIMPLE POTENTIALS

International Journal of Modern Physics B ◽

10.1142/s0217979289000828 ◽

1989 ◽

Vol 03 (08) ◽

pp. 1205-1235 ◽

Cited By ~ 8

Author(s):

U. THOMAS ◽

P. KRAMER

Keyword(s):

Schrödinger Equation ◽

Band Structure ◽

Finite Length ◽

Schrodinger Equation ◽

Fibonacci Numbers ◽

Energy Spectra ◽

Schrodinger Equations ◽

Schrödinger Equations ◽

System Parameters ◽

Band Splitting

The continuous Schrödinger equation is considered on a Fibonacci string of finite length with piece-wise constant potentials or δ-potentials. Using for the calculation of the band structure a well-known map we find that the band splitting depends critically on the energy and system parameters; for appropriately chosen parameters quasi-continuous parts exist in the energy spectra up to high Fibonacci numbers.

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Aspects of the Solid State

10.1093/oso/9780198788669.003.0002 ◽

2017 ◽

Author(s):

Olle Eriksson ◽

Anders Bergman ◽

Lars Bergqvist ◽

Johan Hellsvik

Keyword(s):

Solid State ◽

Band Structure ◽

Point Group ◽

Exchange Interactions ◽

Energy Spectra ◽

Atomic Magnetic Moment ◽

Crystalline Materials ◽

Irreducible Part ◽

Atomic Exchange ◽

Group Symmetries

Symmetries play an important role in the theory of the solid state. As will be developed in this Chapter, DFT calculations for crystalline materials are commonly performed for the irreducible part of the first Brillouin zone, an approach which relies on the use of translational and point group symmetries. Two central properties that result from a calculation in reciprocal space are the wave vector resolved energy spectra, the so called band structure, and the energy resolved density of states. For magnetic materials, atomic magnetic moment moments can be defined and calculated, as well as effective inter-atomic exchange interactions.

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