Étude expérimentale et théorique de l'émission secondaire d'ions moléculaires. Cas des éléments du groupe IV-B

Leleyter, M.; Joyes, P.

doi:10.1051/jphys:01975003605034300

Cited by 52 publications

(38 citation statements)

References 2 publications

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“…In fact, averaged values of these contributions are included in the parameters of the model such as β σ or β π , the usual resonance integrals used in the Hamiltonians. Nevertheless, the results of our calculations are validated by comparison to the results of ab initio calculations on some very small clusters (Verhaegen, 1968;Leleyter, 1975).…”

Section: In Spsupporting

confidence: 52%

“…We need only 3 parameters:β σ , β π and ∆ σ for the homonuclear model which represent in fact the average potential V(r) and which take into account the nuclear attraction and the dielectronic interactions (Leleyter, 1975). But due to the fact that we only take into account on average the nuclear and dielectronic interactions, we can only compare clusters with the same number of atoms and the same number of bonds.…”

Section: In Spmentioning

confidence: 99%

“…But due to the fact that we only take into account on average the nuclear and dielectronic interactions, we can only compare clusters with the same number of atoms and the same number of bonds. (Verhaegen, 1968) As a summary, we used a semi-empirical method which is validated by the comparison with ab initio computations or Density Functional Theory computations, but which is infinitely faster due to the very small number of parameters which are necessary (Verhaegen, 1968;Andre, 1971;Leleyter, 1975;Wang, 1987;Mishin, 2001;de Souza Martins, 2014). This method may lead to the study of the more stable geometries.…”

Section: In Spmentioning

confidence: 99%

“…Our computing model has been used several times and has predicted with a very rapid computing time results that where obtained later by ab initio calculations (Verhaegen 1968;Andre, 1971;Leleyter, 1975;Wang 1987;Mishin 2001;Pike 2014). Moreover, this method allows one to obtain electronic characteristics of larger materials than ab initio calculations.…”

Section: Introductionmentioning

confidence: 97%

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Progressively Doping Graphene with S i: from Graphene to Silicene, a Numerical Study

Olivi-Tran¹

2015

APR

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For three different sizes of graphene nanosheets, we computed the Density of states when these nanosheets are progressively doped with an increasing percentage of S i atoms. The pure graphene nanosheets are semi conducting or not depending on their size. The pure silicene nanosheets are conducting with a conduction due to π electrons. The S i doped graphene nanosheets are also semi conducting or not depending on their size: for small sizes, there are semi conducting and they become conducting for larger sizes and larger percentages of S idoping. We computed also the total electronic energy which is linked to the mechanical stability of all our nanosheets. This mechanical stability decreases regularly as a function of the S i percentage of doping , but for the pure silicene nanosheets, the mechanical stability decreases more abruptly.

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Section: In Spsupporting

confidence: 52%

Section: In Spmentioning

confidence: 99%

Section: In Spmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 97%

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Progressively Doping Graphene with S i: from Graphene to Silicene, a Numerical Study

Olivi-Tran¹

2015

APR

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“…However the value of m r p ðNTÞ can be evaluated, if to take into account the known relation for the vibration frequencies of similar centers, the fact of r-polaron [15] and p-soliton [20] lattice formation in carbynes, leading to change in effective masses [21], presence of two p-subsystems in carbynes, difference of coherence lengths of r-solitons ðn r Þ and p-solitons ðn p Þ, band structure data for t-PA [24] and carbynes [25].…”

mentioning

confidence: 99%

QED model of resonance phenomena in quasionedimensional multichain qubit systems

Dovlatova

Yearchuck²

2011

Chemical Physics Letters

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a b s t r a c tThe analytical solution of the task of the interaction of quantized EM-field with axially symmetric quasi-1D multichain qubit system by taking into account both the intrachain and interchain qubit coupling has been obtained for the first time. The appearance in stationary optical spectra of complementary lines, which is consequence of quantum nature of EM-field, leading to Rabi wave packets' formation, is predicted for all quasi-1D systems with strong electron-photon interaction. The model proposed is considered on the example of perfect carbon quasi-1D zigzag shaped nanotubes, for which a new quasi-1D model, which is qualitatively different from well-known 2D-model, is proposed.Ó 2011 Elsevier B.V. All rights reserved.Quantum electrodynamics (QED) consideration of interaction of electromagnetic (EM) field with matter is used at present very rare in practical applications, for instance, quantum nature of EM-field is not taken into account by its interaction with nanoobjects like to carbon nanotubes (NTs), both in theoretical and experimental aspects [1,2]. There exists at present in QED-theory the analytical solutions of the task of the interaction of quantized EM-field with one qubit, that is the Jaynes-Cummings model (JCM), with multiqubit systems without interaction between qubits, that is the Tavis-Cummings model, and the model described in [3], which is the generalization of Tavis-Cummings model by taking into account the 1D-coupling between qubits. The model to be considered continues the given series, that is, it is the model of the interaction of quantized EM-field with quasi-1D multichain qubit system by taking into account both the intrachain and interchain qubit couplings without restriction on their values. Quasi-1D carbon zigzag-shaped nanotubes (CZSNTs) will represent multichain qubit system in the formulated task above.Quasi-1D CZSNTs can be considered (see further) to be the set of carbon backbones of trans-polyacetylene (t-PA) chains, which are connected between themselves, that is the qualitatively different model for quasi-1D CZSNTs will be proposed in comparison with the well-known 2D-model of NTs. The necessity in the given model is determined by analysis of experimental results, indicating, that with decrease of tube diameter the 2D-1D transition takes place and all physical properties of carbon NTs undergo qualitative leap. It is relevant to both the kinds of NTs, that is to rather perfect NTs produced by high energy ðP 1 Mev per nucleonÞ ion modification (HEIM) of diamond single crystals [4-6] and the so-called ultra-small NTs with 0.4 nm diameter, produced [7,8] inside the nanochannels of porous zeolite AlPO4-5 single crystals. It is interesting, that the authors of [7,8] are considering 0.4 nm diameter single wall nanotubes (SWNTs) to be ideal one-dimensional quantum hollow wires, that is in fact they come to the same conclusion concerning the 2D-1D transition presence. Analogous conclusion was recently done in [9] by electron spin resonance studies (ESR) of ultra-small NT...

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Chemie mit Clusterstrahlen – von Atomen zum Festkörper

Martin

1986

Angew. Chem.

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Wie entstehen nach und nach die Eigenschaften eines Feztkorpers, wenn Atome zu immer grol3eren Einheiten zusammengebracht werden? Um diehe Frage beantworten zu kbnnen, muI3 man Atomaggregate untersuchen, die zu grol3 sind, um Molekiile genannt zu werden, aber noch zu klein, um zumindest die Struktur eines Khtiills zu haben. Jungste Fortschritte in Theorie und Experiment haben erste Erkenntnisse auf diesem lange vernachllssigten, aber faszinierenden Forschungsgebiet ermbglicht. Dieser Fortschrittsbericht behandelt vor allem die Erzeugung, das Wachstum und die Eigenschii ften homo-und heteronuclearer Cluster in der Gasphase, wobei massenspektrometrische Untersuchungen im Vordergrund stehen. Molekule P Mikrokristoll " 6 p4010 AS4 S8 Cluster Abb. 1. Molekille. Cluster und em Mikrokristall. Cluster existieren nicht in GleichgewichtsdPmpfen. Mikrokristalle haben die Syrnmetrie der Kristalle des Festkdrpers. Diese Verwendung des Wortes Cluster weicht von derjenigen ab, die seit vielen Jahren zur Beschreibung mehrerer Klassen kristalliner Clusterverbindungen verwendet ~i r d~' -~l . Mit Hilfe von Clusterstrahlen will man nun unter anderem herausfinden, ob Baueinheiten, die im Festkarper nachgewiesen wurden, auch als isolierte Cluster oder sogar als Cluster von Clustern in der Gasphase existieren. Angew. Chem. 98 (1986) 197-212 Q VCH Verlagsgesellschajr mbH 0-6940 Weinheim. 1986 0044-8249/86/0303-0197 S 02.50/0

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Étude expérimentale et théorique de l'émission secondaire d'ions moléculaires. Cas des éléments du groupe IV-B

Cited by 52 publications

References 2 publications

Progressively Doping Graphene with S i: from Graphene to Silicene, a Numerical Study

Progressively Doping Graphene with S i: from Graphene to Silicene, a Numerical Study

QED model of resonance phenomena in quasionedimensional multichain qubit systems

Chemie mit Clusterstrahlen – von Atomen zum Festkörper

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