A Computational and Experimental Investigation of the Phonon and Optical Properties of Au2P3
Abstract
In a combined experimental and theoretical study of gold phosphide (Au2P3), we investigate its vibrational properties, band structure, and dielectric properties, providing new insight into the properties of this underexplored material. Using a simple synthesis route, Au2P3 thin films were produced, enabling the first reported Raman analysis of this material. Coupled with first-principles calculations of these Raman modes, this analysis reveals that low-frequency vibrations are due to Au or mixed Au to P, and at higher frequencies, they are due to P vibrations. Further band structure and dielectric calculations reveal Au2P3 to be a narrow band (0.16 eV) indirect semiconductor. This work helps to fill major gaps in our understanding of key properties in this material that will benefit future research in this field.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Feb 13, 2019
- Source ID
- 10.3390/ma12040555
Entities
People
- Elisabeth Bianco
- Michael Snure
- Timothy A. Prusnick
- Ştefan C. Bǎdescu
Organizations
- Air Force Office of Scientific Research