Projects per year
The ternary V-VI-VII chalcohalides consist of one cation and two anions. Trivalent antimony - with a distinctive 5s2 electronic configuration - can be combined with a chalcogen (e.g., S or Se) and halide (e.g., Br or I) to produce photoactive ferroelectric semiconductors with similarities to the Pb halide perovskites. We report - from relativistic quasi-particle self-consistent GW theory - that these materials have a multi-valley electronic structure with several electron and hole basins close to the band extrema. We predict ionisation potentials of 5.3-5.8 eV from first-principles for the three materials, and assess electrical contacts that will be suitable for achieving photovoltaic action from these unconventional compounds.
FingerprintDive into the research topics of 'Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells'. Together they form a unique fingerprint.
- 1 Finished
1/02/15 → 31/01/18
Project: Research council