Designing Materials to Revolutionize Our Engineering FutureIntellectual MeritCombining Experiment and Computation to Control Doping in Thermoelectric Materials

The transformation from Hg2GeTe4 to Cu2HgGeTe4 was studied through defect calculations and resonant X-ray diffraction; these efforts identified the presence of local ordering of defects along the alloy continuum and the impact of this local ordering on the carrier concentration and dopability.