• Fritsch, Daniel

Abstract

<jats:p>The p-type semiconductors Cu2O and ZnRh2O4 have been under investigation for potential applications as transparent conducting oxides. Here, we re-evaluate their structural, electronic, and optical properties by means of first-principles calculations employing density functional theory and a recently introduced self-consistent hybrid functional approach. Therein, the predefined fraction α of Hartree–Fock exact exchange is determined self-consistently via the inverse of the dielectric constant ε∞. The structural, electronic, and optical properties will be discussed alongside experimental results, with a focus on possible technological applications.</jats:p>

Topics

• density
• impedance spectroscopy
• theory
• dielectric constant
• density functional theory
• p-type semiconductor