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Net and Hidden Spin-Valley Locking Enable Ultrahigh Hole Mobility in Covalent Bulk WN
Rong-Tian Pang, Zhongjuan Han, Jiayi Gong +3
High carrier mobility at room temperature underpins high-performance electronics, yet high hole mobility remains rare in bulk semiconductors. Spin-valley locking can suppress inter…
Ultrahigh Intrinsic Hole Mobilities in N (= Mo and W) at Room Temperature
Zhongjuan Han, Rong-Tian Pang, Wu Xiong +3
High-mobility -type semiconductors are essential for advanced electronic devices but remain scarce. Here, using a hierarchical screening framework that combines first-principles…
Stacking-dependent thermoelectric transport in layered Sc_2Si_2Te_6 from first principles
Zhongjuan Han, Wu Xiong, Zhonghao Xia +2
Stacking polymorphism is a common characteristic of van der Waals layered materials and can substantially modify their physical properties. Here, based on first-principles calculat…
Ultrastrong coupling between polar distortion and optical properties in ferroelectric MoBrO
Zhaojun Li, Lorenzo Varrassi, Yali Yang +3
Tuning the properties of materials using external stimuli is crucial for developing versatile smart materials. A strong coupling among order parameters within a single-phase materi…