Quantum mechanical investigations of mechanical and thermodynamic properties of SiC and ZrO2 ceramics

Novir, Samaneh Bagheri; Aram, Mohammad Reza

doi:10.1007/s00894-021-04878-y

Cited by 3 publications

(1 citation statement)

References 46 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[ 12 ] For its high hardness, high melting point, and chemical stability, zirconia is widely used as a refractory material and optical mirror. [ 12,13 ] However, the cubic phase of pure ZrO 2 cannot exist stably at room temperature and undergoes phase transitions from cubic to monoclinic phase from melting point to room temperature, accompanied by a substantial increase in volume. The Zr–O ions in the monoclinic phase exhibit seven coordination, where four oxygen ions form a tetrahedral coordination and the other three oxygen ions form a triangle.…”

Section: Introductionmentioning

confidence: 99%

The Visible Light Absorption Mechanism for Cubic Zirconia by Cobalt‐Ion Implantation

Cao

Zhao

Tang

et al. 2023

Physica Status Solidi (b)

View full text Add to dashboard Cite

To investigate the effect of Co ions on the visible light absorption mechanism of cubic zirconia, Co ions are doped into colorless cubic zirconia with an ion implantation method and related heat treatment is performed. The elemental content, the role of Co, and the types of O elements in cubic ZrO2 are also analyzed utilizing the data from UV–visible spectroscopy, X‐ray diffraction, X‐ray photoelectron spectroscopy, and electron paramagnetic resonance spectroscopy. Based on the experimental results, the contribution of Co implantation on the visible light absorption of cubic zirconia is calculated from the electronic structure and related optical properties according to the density functional theory. The study results show that the colorless cubic ZrO2 is blue in color after ion implantation and then fades after 1400 °C heat treatment. Thus, the visible light absorption and the spectroscopic characteristics are related to the oxygen vacancy and the d‐orbital transition of Co ions.

show abstract

Section: Introductionmentioning

confidence: 99%