Dielectric capacitors, characterized by ultra-high power densities, have been widely used in
Internet of Everything terminals and vigorously developed to improve their energy storage …

Ferroelectrics are a class of polar and switchable functional materials with diverse
applications, from microelectronics to energy conversion. Computational searches for new …

Building on the extensive exploration of metal oxide and metal halide perovskites, metal
nitride perovskites represent a largely unexplored class of materials. We report a multi-tier …

Utilizing density functional theory (DFT), we embarked on a comprehensive investigation of
the structural, electronic, and optical properties characteristic of the ferroelectric hybrid (Me 2 …

We develop a method combining machine learning (ML) and density functional theory (DFT)
to predict low-energy polymorphs by introducing physics-guided descriptors based on …

Binary nitride semiconductors have important applications in the industrial and technological
fields. In this work, based on the recently reported metastable P ca 2 1 phase of SbN, we …