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Lattice dynamical properties of ScB2, TiB2, and VB2 compounds
(PERGAMON-ELSEVIER SCIENCE, 2009)
We have investigated the structural and lattice dynamical properties of XB2(X = Sc, V, Ti) by using first-principles total energy calculations. Specifically, the lattice parameters (a, c) of the stable phase, the bond ...
Structural, electronic, elastic and optical properties of CdxZn1-xTe mixed crystals
(IOP Publishing, 2009)
The structural, electronic, elastic and optical properties of CdxZn1-xTe ternary mixed crystals are investigated by the first-principles plane-wave pseudopotential method within the LDA approximations. Basic physical ...
The structural, thermodynamical and elastic properties of TiO
(IOP Publishing, 2009)
In this paper, we have studied the structural, elastic, electronic and thermodynamical properties of TiO by performing ab initio calculations within the local density approximation (LDA). In particular, the lattice constant, ...
