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4 papers · 2 filters
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
Prediction of Ideal Topological Semimetals with Triply Degenerate Points in NaCuTe Family
Jianfeng Wang, Xuelei Sui, Wujun Shi +6
Triply degenerate points (TDPs) in band structure of a crystal can generate novel TDP fermions without high-energy counterparts. Although identifying ideal TDP semimetals, which ho…
Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation
Xin-Gang Zhao, Ji-Hui Yang, Yuhao Fu +5
Hybrid organic-inorganic halide perovskites with the prototype material of CHNHPbI have recently attracted intense interest as low-cost and high-performance photo…
Magnetic switching in granular FePt layers promoted by near-field laser enhancement
Patrick W. Granitzka, Emmanuelle Jal, Loïc Le Guyader +20
Light-matter interaction at the nanoscale in magnetic materials is a topic of intense research in view of potential applications in next-generation high-density magnetic recording.…