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10 papers · 2 filters
Bidirectional Optimization onto Thermoelectric Performance via Hydrostatic-Pressure in Chalcopyrite AgXTe2 (X=In, Ga)
Siqi Guo, Jincheng Yue, Jiongzhi Zheng +5
Pressure tuning has emerged as a powerful strategy for manipulating the thermoelectric properties of materials by inducing structural and electronic modifications. Herein, we syste…
First-principles study of electronic and magnetic properties of Fe atoms on Cu2N/Cu(100)
Jiale Chen, Jun Hu
First-principles calculations were conducted to investigate the structural, electronic and magnetic properties of single Fe atoms and Fe dimers on Cu2N/Cu(100). Upon adsorption of…
Deep learning-driven evaluation and prediction of ion-doped NASICON materials for enhanced solid-state battery performance
Zirui Zhao, Xiaoke Wang, Si Wu +5
We developed a convolutional neural network (CNN) model capable of predicting the performance of various ion-doped NASICON compounds by leveraging extensive datasets from prior exp…
Efficient Cross-layer Thermal Transport with Atypical Glassy-like Phenomena in Crystalline CsCuSe
Jincheng Yue, Yanhui Liu, Jiongzhi Zheng
Understanding lattice dynamics and thermal transport in crystalline compounds with intrinsically low lattice thermal conductivity () is crucial in condensed matter physics. In…
Strain-engineering quantum anomalous Hall effect in janus MnBi2SexTe4-x monolayers
Jiale Chen, Pengfei Li, Jun Hu
Exploring intrinsic magnetic topological insulators (TIs) for next-generation spintronic devices is still challenging in recent years. Here, we present a theoretical investigation…
Discovery of a metallic room-temperature d-wave altermagnet KV2Se2O
Bei Jiang, Mingzhe Hu, Jianli Bai +19
Beyond conventional ferromagnetism and antiferromagnetism, altermagnetism is a recently discovered unconventional magnetic phase characterized by time-reversal symmetry breaking an…