Mechanical stability: diamond as a case study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F12%3APU100810" target="_blank" >RIV/00216305:26210/12:PU100810 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
čeština
Original language name
Mechanická stabilita: diamant jako případová studie
Original language description
Theoretical tensile strength under isotropic (hydrostatic) loading of diamond crystal is evaluated as a stress at the onset of dynamical instability in the lattice. In this paper, the mechanical stability is assessed by using phonon spectra and stabilitycriteria that are based on calculation of elastic constants. The pseudopotential plane wave code Abinit, based on the density functional theory, is used for this purpose. Dynamical matrices that are used to construct dispersion curves are calculated bymeans of supercell method.
Czech name
Mechanická stabilita: diamant jako případová studie
Czech description
Theoretical tensile strength under isotropic (hydrostatic) loading of diamond crystal is evaluated as a stress at the onset of dynamical instability in the lattice. In this paper, the mechanical stability is assessed by using phonon spectra and stabilitycriteria that are based on calculation of elastic constants. The pseudopotential plane wave code Abinit, based on the density functional theory, is used for this purpose. Dynamical matrices that are used to construct dispersion curves are calculated bymeans of supercell method.

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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