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cond-mat.mtrl-sci2012★ 203 cited
Structural, electronic, and optical properties of ZrO2 from ab initio calculations
Joelson Cott Garcia, L. M. R. Scolfaro, A. T. Lino +6
Structural, electronic, and optical properties for the cubic, tetragonal, and monoclinic crystalline phases of ZrO2, as derived from it ab initio full-relativistic calculations, ar…
cond-mat.mtrl-sci2006★ 5 cited
Frequency Dependence of the Dielectric Constants and of the Reflectivity for HfO2 and ZrO2 from First-Principles Calculations
C. C. Silva, H. W. Leite Alves, L. M. R. Scolfaro
We present, in this work, our theoretical results for the phonon dispersions and the frequency dependence of the reflectivities and the dielectric constants of ZrO2 and HfO2 in the…