Zn2HgP2S8: A Wide Bandgap Hg‐Based Infrared Nonlinear Optical Material with Large Second‐Harmonic Generation Response
Hg‐based chalcogenides, as good candidates for the exploration of high‐performance
infrared (IR) nonlinear optical (NLO) materials, usually exhibit strong NLO effects, but narrow …
infrared (IR) nonlinear optical (NLO) materials, usually exhibit strong NLO effects, but narrow …
Predicting the Curie temperature of magnetic materials with automated calculations across chemistries and structures
We develop a technique for predicting the Curie temperature of magnetic materials using
density functional theory calculations suitable to include in high-throughput frameworks. We …
density functional theory calculations suitable to include in high-throughput frameworks. We …
Predicting the Curie temperature of magnetic materials with automated calculations across chemistries and structures
We develop a technique for predicting the Curie temperature of magnetic materials using
density functional theory calculations suitable to include in high-throughput frameworks. We …
density functional theory calculations suitable to include in high-throughput frameworks. We …