Single Particle Wavefunction Localizations in Bulged CdSe Nanowires

Zhao, Zhengji; Wang, Lin‐Wang; Wu, Feng-Min

doi:10.1166/jctn.2007.2311

Cited by 7 publications

(3 citation statements)

References 13 publications

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“…Although modelling of nanoparticle properties was not discussed here, various theoretical models and simulation techniques have been devised to explore structure-property relationships at the nanoscale. Examples include the magnetic properties of iron nanoparticles [556] and the magnetic properties of patterned ferromagnetic nanowires [557]; the optical properties of metal nanoparticles [65,[558][559][560][561][562][563][564][565]; the electronic properties of semiconductors [566][567][568][569][570]; or the potential toxicity of oxide nanoparticles [571,572]. The ultimate objective is the ability to undertake complete 'virtual experiments' that can guide synthesis efforts [573,574].…”

Section: Discussionmentioning

confidence: 99%

Modelling of nanoparticles: approaches to morphology and evolution

2010

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As we learn more about the physics, chemistry and engineering of materials at the nanoscale, we find that the development of a complete understanding is not (in general) possible using one technique alone. Computer simulations provide a very valuable addition to our scientific repertoire, but it is not immediately intuitive which of the many methods available are right for a given problem. In this paper, various computational approaches are described as they apply to the study of the structure and formation of discrete inorganic nanoparticles. To illustrate how these methods are best used, results of studies from many research groups are reviewed, and informal case studies are constructed on carbon, titania and gold nanoparticles.

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Section: Discussionmentioning

confidence: 99%

Modelling of nanoparticles: approaches to morphology and evolution

2010

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“…, with m Ã the effective mass of e or h (0.18m 0 [47,48] 0.78m 0 [49] in the considered x-direction) and k i the corresponding wave-vector projections. Often, 1D nanosystems or nanowires are treated as being quantized strongly in two directions (say y and z) while free motion occurs along x-direction.…”

Section: Resultsmentioning

confidence: 99%

“…Considering 1D semiconductor nanoparticles, excitation of an electron from the valence band (VB) to the conduction band (CB) leaves a hole in the VB. We model electrons (e) and holes (h) in wurtzite (WZ) CdSe nanorods as particles in a 1D quantum well, obeying the discrete dispersion relation

E_{k} = (ℏ^{2} / 2 m^{*}) false(k_{x}^{2} + k_{y}^{2} + k_{z}^{2} false)

, with

m^{*}

the effective mass of e or h (

0.18 m_{0}

[ 47,48 ]

0.78 m_{0}

[ 49 ] in the considered x ‐direction) and k i the corresponding wave‐vector projections. Often, 1D nanosystems or nanowires are treated as being quantized strongly in two directions (say y and z ) while free motion occurs along x ‐direction.…”

Section: Resultsmentioning

confidence: 99%

THz Response of Charge Carriers in Nanoparticles: Microscopic Master Equations Reveal an Unexplored Equilibration Current and Nonlinear Mobility Regimes

Quick

Wach

Owschimikow

et al. 2022

Advanced Photonics Research

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Herein, the THz mobility of charge carriers in low‐dimensional semiconductors based on a density matrix approach involving master equations for population and polarization dynamics is modeled. Pulsed THz fields induce intraband transitions between quantized subband states, creating polarization and subsequent charge transport that governs the electron mobility. It is shown that an equilibration current emerges—a purely quantum mechanical contribution understood via the Ehrenfest theorem in 1D—reshaping the low‐frequency mobility. Apart from thermal population, the results further demonstrate that the frequency‐dependent mobility becomes THz field strength and spectrum, as well as pulse width and chirp dependent, already at moderate THz probe fields of 1 kV cm−1, e.g., for 1D CdSe or GaAs nanostructures. The parametric nature of the underlying master differential equations for polarization and population, driving the intraband conductivity, results in a nonlinear, third‐order mobility and susceptibility, causing a nontrivial field dependence as well as power broadening even at moderate field strength. The obtained results are in good agreement with experiments. The observed high nonlinearities strongly impact the design and interpretation of THz charge carrier mobility experiments and further allow applications like coherent control, frequency mixing, or synthesis through a field‐controlled nonlinearity or high harmonics generation, especially interesting for future 6G telecommunication.

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Theoretical studies on the structure and properties of BN clusters (BN)n and endohedral metallo-BN clusters M@(BN)n

Feng

Kong

et al. 2011

Computational and Theoretical Chemistry

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Single Particle Wavefunction Localizations in Bulged CdSe Nanowires

Cited by 7 publications

References 13 publications

Modelling of nanoparticles: approaches to morphology and evolution

Modelling of nanoparticles: approaches to morphology and evolution

THz Response of Charge Carriers in Nanoparticles: Microscopic Master Equations Reveal an Unexplored Equilibration Current and Nonlinear Mobility Regimes

Theoretical studies on the structure and properties of BN clusters (BN)n and endohedral metallo-BN clusters M@(BN)n

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