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D Nguyen-Manh

Publications and source records attributed to D Nguyen-Manh.

4 recordsLinked to original sources

Simulated electron energy loss spectra from a C70 crystal.

Electron energy loss spectra are simulated for a C70 crystalline structure. It is found that the simulated spectrum is similar to the unoccupied density of states of a C70 molecule, indicating that the crystalline structure has only a small effect on the spectrum. Unlike the case of a single molecule, however, the main contribution to the second peak in the spectrum cannot be ascribed as being due to the equatorial atoms.

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Electron diffraction from nanovolumes of amorphous material using coherent convergent illumination.

Using a conventional transmission electron microscope that incorporates a field emission gun it is possible to focus an electron beam to form a small probe (<1nm full-width at half-maximum). Such a probe can then be used to perform high spatial resolution diffraction experiments. The high spatial resolution allows technologically interesting amorphous volumes, such as those found in glassy intergranular phases or in semiconductor implantations, to be investigated directly. In order to achieve the probe characteristics necessary to investigate nanovolumes of material the probe must be highly convergent which results in it being highly coherent. In this paper we examine the effect of coherent convergent illumination on electron diffraction data taken from nanovolumes of amorphous material. It is shown that, for amorphous volumes as small as 1.2nm in diameter, the additional interference effects induced in the diffraction data by the use of coherent convergent illumination are largely suppressed by the lack of order in amorphous materials. This allows the use of deconvolution techniques, developed for the correction of broadening of the diffraction pattern in the case of incoherent illumination, and the subsequent application of reduced density function (G(r)) analysis, to also be used for coherent illumination.

Journal Article↗

Analytic environment-dependent tight-binding bond integrals: application to MoSi2.

We present the first derivation of explicit analytic expressions for the environmental dependence of the sigma, pi, and delta bond integrals within the orthogonal two-center tight-binding approximation by using the recently developed bond-order potential theory to invert the nonorthogonality matrix. We illustrate the power of this new formalism by showing that it not only captures the transferability of the bond integrals between elemental bcc Mo and Si and binary C11(b) MoSi2 but also predicts the absence of any discontinuity between first and second nearest neighbors for the ddsigma bond integral even though large discontinuities exist for ppsigma, pppi, and ddpi.

Journal Article↗