2 papers
cond-mat.mtrl-sci2005
Heat capacity of -GaN: Isotope Effects
R. K. Kremer, M. Cardona, E. Schmitt +7
Until recently, the heat capacity of GaN had only been measured for polycrystalline powder samples. Semiempirical as well as \textit{first-principles} calculations have appeared wi…
cond-mat.mtrl-sci2001
ab inito local vibrational modes of light impurities in silicon
J. M. Pruneda, S. K. Estreicher, J. Junquera +2
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbita…