Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations

• DOI: 10.1039/c5tc04172d
• Publication Date: 2016-02-25T11:37:13Z
• Authors: Sabine Körbel; Miguel A. L. Marques; Silvana Botti
• Keywords: [PHYS]Physics [physics]; [SPI]Engineering Sciences [physics]; [SPI] Engineering Sciences [physics]; [CHIM] Chemical Sciences; [CHIM]Chemical Sciences; 01 natural sciences; 7. Clean energy; [PHYS] Physics [physics]; 0104 chemical sciences

<italic>Ab initio</italic> high-throughput materials screening of inorganic perovskites yields candidates for applications in photovoltaics, ferroelectrics, magnetoelectrics, and as transparent contacts.