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cond-mat.mtrl-sci2025

Simultaneous Superconducting and Topological Properties in Mg-Li Electrides at High Pressures

D. Wang, H. Song, Q. Hao +6

Electrides as a unique class of emerging materials exhibit fascinating properties and hold important significance for understanding the matter under extreme conditions, which is ch…

cond-mat.mtrl-sci2024

Distinctive Electronic Characteristics and Ultra-high Thermoelectric Power Factor in Be-Fe Intermetallics

Q. D. Hao, H. Wang, X. R. Chen +1

Beryllium (Be) alloys are indispensable in cutting-edge applications due to their unique advantages. However, the scientific understanding about their structure and property is def…

cond-mat.mtrl-sci2024

Selective Switching Between Two Band-Edge Alignments in Ternary Pentagonal CdSeTe Monolayer: Atom-Valley Locking

Zhi-Qiang Wen, Qiu Yang, Shu-Hao Cao +3

In the field of photocatalytic water splitting, no current studies have explicitly investigated the coexistence of multiple band-edge alignments in two-dimensional (2D) materials w…

cond-mat.mtrl-sci2024

Universal Metallic Surface States in Electride

Dan Wang, Hongxing Song, Leilei Zhang +6

Robust metallic surface states (MSS) of topological insulator (TI) against imperfections and perturbations are important in broad applications such as chemical catalysis and quantu…

cond-mat.mtrl-sci2024

Prediction of novel ordered phases in U-X (X= Zr, Sc, Ti, V, Cr, Y, Nb, Mo, Hf, Ta, W) binary alloys under high pressure

Xiao L. Pan, Hong X. Song, H. Wang +5

U-based binary alloys have been widely adopted in fast nuclear reactors, but their stability under extreme conditions of high-pressure is almost unknown, mounting up to latent risk…