C2QA Quantum Thursdays - Chris Van de Walle

First-principles Modeling of Quantum Defects

 

Join: Zoom Meeting https://bnl.zoomgov.com/j/1609999793?pwd=VWdlYlhIVGJUQTRTY0M3WFN3dzFzdz09

 

ABSTRACT: 

Quantum technologies have recently become a top research priority. However, the underlying hardware still requires major development. Point defects in semiconductors and insulators provide a platform that combines the environmental isolation necessary to maintain the coherence of quantum states with the ability to perform electrical and optical manipulation. We have performed in-depth first-principles analyses of the nitrogen-vacancy (NV) center in diamond in order to elucidate its properties and to predict which centers in other materials might exhibit similarly favorable properties. Building on the general methodology for performing point-defect calculations, we have developed the capability to predict transition energies, lineshapes, and radiative and nonradiative rates. These developments enable us to analyze, identify, and predict quantum point defects, as will be illustrated with examples for a number of semiconductors including AlN and BN.