2 papers
cond-mat.mtrl-sci2019
High Dielectric Ternary Oxides from Crystal Structure Prediction and High-throughput Screening
Jingyu Qu, David Zageceta, Weiwei Zhang +1
The development of new high dielectric materials is essential for advancement in modern electronics. Oxides are generally regarded as the most promising class of high dielectric ma…
cond-mat.mtrl-sci2018
Computational Design of Flexible Electrides with Non-trivial Band Topology
Sheng-cai Zhu, Lei Wang, Jing-yu Qu +4
Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we…