Electronic Structure Pseudopotential Calculations of Large (.apprx.1000 Atoms) Si Quantum Dots

Wang, Lin Wang; Zunger, Alex

doi:10.1021/j100059a032

Cited by 410 publications

(315 citation statements)

References 5 publications

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“…Reports on experimental measurements and calculations of E og as a function of the size of Si NPs embedded in SiO 2 show that the value obtained corresponds to NPs with an average diameter in the range of 4-5 nm. [17][18][19][20] This result is in very good agreement with the results obtained from the EFTEM analysis, and therefore for analysis purposes from now on it will be considered that the average diameter of the Si NPs in the films is 4.5Ϯ 0.5 nm.…”

Section: A Structural Analysissupporting

confidence: 83%

Tuning the Er3+ sensitization by Si nanoparticles in nanostructured as-grown Al2O3 films

Núñez-Sánchez

Serna

López

et al. 2009

Journal of Applied Physics

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Influence of size/crystallinity effects on the cation ordering and magnetism of α-lithium ferrite nanoparticles J. Appl. Phys. 111, 034313 (2012) Nanoparticle production in arc generated fireballs of granular silicon powder AIP Advances 2, 012126 (2012) Modeling upconversion of erbium doped microcrystals based on experimentally determined Einstein coefficients J. Appl. Phys. 111, 013109 (2012) Huge enhancement of optical nonlinearities in coupled Au and Ag nanoparticles induced by conjugated polymers Appl. Phys. Lett. 100, 023106 (2012) Size-dependent low-frequency dielectric properties in the BaTiO3/poly(vinylidene fluoride) nanocomposite films Appl. Phys. Lett. 100, 012903 (2012) Additional information on J. Appl. Phys. Nanostructured films consisting of single Si nanoparticles ͑NPs͒ and Er 3+ ions layers separated by nanometer-scale Al 2 O 3 layers of controlled thickness have been prepared in order to tune the energy transfer between Si NPs and Er 3+ ions. The amorphous Si NPs with an effective diameter of ϳ4.5 nm are formed during growth and are able to sensitize the Er 3+ ions efficiently with no postannealing treatments. The characteristic distance for energy transfer from Si NPs to Er 3+ ions in Al 2 O 3 is found to be in the 1 nm range. It is shown that in the nanostructured films, it is possible to achieve an optimized configuration in which almost all the Er 3+ ions have the potential to be excited by the Si NPs. This result stresses the importance of controlling the dopant distribution at the nanoscale to achieve improved device performance.

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Section: A Structural Analysissupporting

confidence: 83%

Tuning the Er3+ sensitization by Si nanoparticles in nanostructured as-grown Al2O3 films

Núñez-Sánchez

Serna

López

et al. 2009

Journal of Applied Physics

View full text Add to dashboard Cite

show abstract

“…The non-degenerate TPA coefficient β 12 (ω 1 , ω 2 ) describes absorption of the probe light with the frequency ω 1 and the polarization e a in the presence of the excite light with the frequency ω 2 and the polarization e b , and, in the transparent region (ω 1 , ω 2 < E g ), it is related to the third order nonlinear susceptibility χ (3) abba [9] by…”

Section: Tpa Coefficientmentioning

confidence: 99%

“…A simple form of χ (3) for TPA is provided by the second-order time-dependent perturbation theory [9],…”

Section: Tpa Coefficientmentioning

confidence: 99%

“…RESULT Figure 1 shows the non-degenerate TPA coefficient β xx (ω 1 , ω 2 ) of hydrogenated cubic Si nanocrystallites of size l = 1 ∼ 4 (nm) as a function of ω 1 with a fixed excite light frequency, ω 2 = 2.4(eV). In the calculation, we used the Hamiltonian matrix discretized into N = L 3 (L = 32 ∼ 80) cubic meshes in real space, which consists of the semi-empirical local pseudopotential [3] the kinetic energy operator in the finite difference form [4] . The results were averaged over 2 − 16 random vectors depending on the system size.…”

Section: Tpa Coefficientmentioning

confidence: 99%

“…In this paper, we develop a new algorithm for calculating TPA spectra by using semiempirical local pseudopotentials [3], finite difference method in real space [4], and a linearscaling time-dependent method which has been applied to the calculation of the linearresponse functions [5,6,7,8]. This efficient algorithm made it possible, for the first time, to calculate the size effect on the TPA spectra of very large nanocrystallites without using effective-mass approximation.…”

Section: Introductionmentioning

confidence: 99%

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