Browsing School of Microelectronic Engineering (Articles) by Subject "Elastic constants"
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First principles study of the structural, elastic and electronic properties of Ti2InC and Ti2InN
(World Scientific Publishing Company, 2011-04-20)The structural, elastic and electronic properties of Ti2InC and Ti2InN compounds have been calculated using the full-potential linear muffin-tin orbital (FP-LMTO) method. The exchange and correlation potential is treated ... -
On the electronic nature of silicon and germanium based oxynitrides and their related mechanical, optical and vibrational properties as obtained from DFT and DFPT
(Elsevier B.V., 2012-02)Electronic structure, bonding and optical properties of the orthorhombic oxynitrides Si2N2O and Ge2N2O are studied using the density function theory as implemented in pseudo-potential plane wave and fullpotential (linearized) ...