​Predicting the properties of Ga2O3 using first-principles calculations

Date: 7 January 2019

Venue: UAntwerpen, Campus Groenenborger, Building U, Room 203 - Groenenborgerlaan 171 - 2020 Antwerpen (route: UAntwerpen, Campus Groenenborger)

Time: 4:00 PM - 5:00 PM

Organization / co-organization: Condensed Matter Theory

Short description: Condensed Matter Theory Seminar presented by Prof Harwin Peelaers

​Predicting the properties of Ga2O3 using first-principles calculations Gallium oxide (β-Ga2O3) is a promising material for high-power electronic devices, combining excellent material properties and ease of mass production. It is a wide-gap semiconductor with a monoclinic crystal structure, and a band gap of 4.8 eV. Its high carrier mobility and large band gap have attracted a lot of attention for use in high-power electronics and transparent conducting applications.

These applications require the presence of a large concentration of free electrons. Based on advanced first-principles calculations using hybrid functionals, I will discuss different approaches to efficiently create free carriers in Ga2O3 . First-principles calculations also reveal that the presence of these free carriers leads to additional light absorption, which might impact optical devices such as UV photodetectors. I will also show how alloying can be used to modify the properties of Ga2O3. Finally, I will discuss Ga2O3 nanolayers, and why these nanolayers seemingly have a lack of quantum confinement.

Contact email: lucian.covaci@uantwerpen.be

Link: http://cmt.uantwerpen.be