Simulations d'une structure cristalline incommensurable à caractère désordonné
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
The structure of Liquid GeSe2 at T = 1373 K has been investigated by first-principles molecular dynamics. The calculated total neutron structure factor is in good agreement with recent experimental data. We found that the disappearance with increasing temp ...
In the attempt to identify the physical origin of a first sharp diffraction peak (FSDP) in the concentration-concentration partial structure factor, we perform first-principle molecular dynamics of liquid GeSe2. We compare the structural properties of two ...
NADA is a computer program for the simultaneous refinement of the components of the orientation matrix and the components of up to three modulation vectors by the method of least squares. Using the spatial peak positions and the orientation matrix of the m ...
The high- and low-temperature forms, i.e., phase I (stable above 328 K) and phase II (stable below 328 K), of Cu8GeSe6 have been investigated by the powder X-ray diffraction method. Cu8GeSe6 II is hexagonal with A = 12.6438(2), C = 11.7570(1) Angstrom, Z = ...
A first-principle molecular dynamics study on liquid GeSe2 yields structural properties in good agreement with detailed neutron scattering data. The short range order is accurately described by a variety of bonding configurations, in which regular tetrahed ...
We have developed a numerical diffraction tool for cases in which the incident field is a focused spot and the diffracting structure is a single structure or an aperiodic surface. Our approach uses the integral formulation to solve Maxwell's equations and ...
We investigated two optical methods for characterizing submicron structures. Average errors of a few nanometers can be determined by the far-field diffraction metrology utilizing diffractive structures having enhanced sensitivity to fabrication errors. The ...
Large errors may occur in the X-ray diffraction determination of epitaxial layer mismatch, thicknesses or/and periodicity if the substrate miscut angle is not taken into account. Misoriented sample rocking curves are indeed strongly affected when the azimu ...
Modulated structures can be found in organic, inorganic and even quasicrystalline structures. They are generally detected by diffraction from the presence of satellites surrounding the Bragg reflections. Their positions may vary continuously with temperatu ...
The indium desorption rates from InGaAs and InAlAs grown on InP substrates have been measured by wedge transmission electron microscopy as a function of the growth temperature. Desorption becomes significant at 545-degrees-C for both materials. No automatc ...