The Critical Role of Anharmonic Lattice Dynamics for Macroscopic Properties of the Visible Light Absorbing Nitride Semiconductor CuTaN2 (adv. Energy Mater. 19/2024)

Solar Energy Harvesting In article number 2303059, Omer Yaffe, Ian D. Sharp, David A. Egger, and co-workers uncover pronounced anharmonic vibrational effects in the ternary nitride semiconductor, CuTaN2. These dynamic structural characteristics are found to have a large impact on the fundamental properties of this compound, causing an opening of its bandgap to a near-optimal value for solar energy harvesting.