Combining 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.

Additional Materials

Designing Materials to Revolutionize and Engineer our Future (DMREF)