Electronic States of C60 Ions vs Electron Interaction and Energetics of A3C60 Fullerides

Kuprievich, V. A.; Shramko, O. V.; Kapitanchuk, O. L.

doi:10.1080/10587250108025714

Cited by 5 publications

(2 citation statements)

References 13 publications

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“…Electron and fullerene interaction is a fundamental phenomenon to investigate; the interaction covers a spectrum of processes such as elastic scattering, electron attachment, excitation, photoionization, etc. All these processes are tools to investigate the electronic structure and dynamics of C 60 and its derivatives [15,16]. There have been few experimental and many theoretical investigations of photoionization from the fullerene systems [17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Shannon entropy of resonant scattered state in the e–C₆₀ elastic collision

Sarswat¹,

Aiswarya²,

Jose³

2022

J. Phys. B: At. Mol. Opt. Phys.

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Resonance is a remarkable feature in elastic scattering and the resonant states of e-C60 scattering are benchmarked using Shannon entropy in the present work. The resonant wavefunction, total cross-section, partial cross-sections, and scattering phase shifts are calculated for the e-C60 scattering to review the localization properties owing to resonance. Three different model interaction potentials are used in the paper to simulate the environment of the C60 shell; Annular Square Well (ASW), Gaussian Annular Square Well (GASW), and Lorentzian Potential. This paper aims to establish a relationship between the Shannon entropy and resonant properties linked with e+C60 scattering. This work introduces the Shannon entropy as an indicator of resonance in elastic scattering and it unveils the susceptibility of entropic properties to the nature of the model potential.

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Section: Introductionmentioning

confidence: 99%

Shannon entropy of resonant scattered state in the e–C₆₀ elastic collision

Sarswat¹,

Aiswarya²,

Jose³

2022

J. Phys. B: At. Mol. Opt. Phys.

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“…We consider the problem using the approximation that seems to fit better to the electronic characteristics of this material. Specifically, we apply the approach earlier used by us for calculations of charge transfer in the crystals of A 3 C 60 fullerides [6]. The hopping smallness in comparison with electrostatic energies enables us to develop a simple scheme for the calculations of the charge distribution in the C 60 -based FET structure.…”

Section: Introductionmentioning

confidence: 99%

Charge distribution in C 60 crystal doped by electric field

Kuprievich

Kapitanchuk

Shramko

2002

Molecular Crystals and Liquid Crystals

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The calculations of the charge distribution in the C 60 -based FET structure are presented. A simple model is proposed to describe the distribution of injected electrons or holes between two-dimensional layers. The calculations show that the relative layer charges are independent on the total amount of injected charges. The charge density is maximal on the surface layer and drops exponentially with the depth increase. The relative portions of injected charge involved in the top layer are 73 and 64 per cent in the case of electron and hole injection, respectively. Thus, the degree of charge localization on the crystal surface turns to be markedly different from the result obtained earlier within the tight-binding model predicting near-complete localization for the charge concentration providing superconductivity.

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Jahn–Teller Instability of Correlated C₆₀ Anions

Kuprievich

Kapitanchuk

2005

Molecular Crystals and Liquid Crystals

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The results of calculations on static Jahn-Teller ground state splittings inicosahedral C NÀ 60 ðN ¼ 1; . . . ; 4Þ fullerene anions with different types of electron-electron interaction are presented. Multielectron states of anions are determined within a quasy-p-electronic model configuration interaction (CI) method for two active spaces of t 1u and t 1u þ t 1g molecular orbitals. Electron-lattice interaction is taken into account over a linear dependence of the neighbor site resonance integrals on the correspondent length change. The results show that, in opposition to the case of short-range electron repulsion, long-range electron correlation can significantly change the features of the Jahn-Teller splitting.

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Electronic States of C₆₀ Ions vs Electron Interaction and Energetics of A₃C₆₀ Fullerides

Cited by 5 publications

References 13 publications

Shannon entropy of resonant scattered state in the e–C₆₀ elastic collision

Shannon entropy of resonant scattered state in the e–C₆₀ elastic collision

Charge distribution in C 60 crystal doped by electric field

Jahn–Teller Instability of Correlated C₆₀ Anions

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Electronic States of C60 Ions vs Electron Interaction and Energetics of A3C60 Fullerides

Cited by 5 publications

References 13 publications

Shannon entropy of resonant scattered state in the e–C60 elastic collision

Shannon entropy of resonant scattered state in the e–C60 elastic collision

Charge distribution in C 60 crystal doped by electric field

Jahn–Teller Instability of Correlated C60 Anions

Contact Info

Product

Resources

About

Electronic States of C₆₀ Ions vs Electron Interaction and Energetics of A₃C₆₀ Fullerides

Shannon entropy of resonant scattered state in the e–C₆₀ elastic collision

Shannon entropy of resonant scattered state in the e–C₆₀ elastic collision

Jahn–Teller Instability of Correlated C₆₀ Anions