Title of article :
Calculation of theoretical strength of solids by linear muffin-tin orbitals (LMTO) method
Author/Authors :
?andera، نويسنده , , P. and Pokluda، نويسنده , , J. and Wang، نويسنده , , L.G. and ?ob، نويسنده , , M.، نويسنده ,
Abstract :
Ab initio calculation of theoretical strength of Si, Na, W, Cu and Ir cubic crystals under three-axial tension is performed using the linear muffin-tin orbitals-atomic-sphere approximation (LMTO-ASA) method. This method is particularly effective in case of isotropic deformation modes and can be applied by means of advanced personal computers. Computed values are compared with those obtained previously by other methods. The results obtained verify some semi-empirical pair and many-body potential approximations.
Keywords :
Cubic crystals , Linear muffin-tin orbitals-atomic-sphere approximation method , theoretical strength , Ab initio calculations
Journal title :
Astroparticle Physics
