Imagen de Portada
Código QR

Study of dynamic and thermodynamic properties of zinc-blend and wurtzite cadmium sulfide (CdS) using density functional theory.

The dynamic and thermodynamic properties of wurtzite (wz) and zinc-blend (zb) CdS are investigated within the density functional theory using different approximation methods such as LDA, PBE, and DFT+U. Hellmann–Feynman approach is implemented for the relaxation of atomic position for both phases. T...

Descripción completa

Publicado en:Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 77; no. 2; pp. 171 - 180
Autores principales: Edossa, Teshome Gerbaba, Woldemariam, Menberu Mengasha
Formato: Artículo
Publicado: De Gruyter Feb2022
Materias:
Density functional theory
Thermodynamics
Cadmium sulfide
Wurtzite
Permittivity
Specific heat
Polymer blends
Zinc oxide thin films
Zinc oxide synthesis
Acceso en línea:Ver este registro en EBSCOhost