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- University of Science and Technology of ChinaCN42 papers
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19 papers · 1 filter
Temperature Effect on Charge-state Transition Levels of Defects in Semiconductors
Shuang Qiao, Yu-Ning Wu, Xiaolan Yan +3
Defects are crucial in determining the overall physical properties of semiconductors. Generally, the charge-state transition level (TEL), one of the key physical quantities that de…
The Phonon Quasiparticle Approach for Anharmonic Properties of Solids
Zhen Zhang, Dong-Bo Zhang, Tao Sun +1
Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharm…
Achieving adjustable elasticity with non-affine to affine transition
Xiangying Shen, Chenchao Fang, Zhipeng Jin +7
For various engineering and industrial applications it is desirable to realize mechanical systems with broadly adjustable elasticity to respond flexibly to the external environment…
Unified First-Principles Study of the Anomalous Hall Effect Based on Exact Muffin-Tin Orbitals
Lei Wang, Tai Min, Ke Xia
Based on the exact muffin-tin orbitals (EMTOs), we developed a first-principles method to calculate the current operators and investigated the anomalous Hall effect in bcc Fe as an…
Giant exciton Mott density in anatase TiO2
Edoardo Baldini, Tania Palmieri, Adriel Dominguez +2
Elucidating the carrier density at which strongly bound excitons dissociate into a plasma of uncorrelated electron-hole pairs is a central topic in the many-body physics of semicon…
Prediction of Stoner-Type Magnetism in Low-Dimensional Electrides
Xuelei Sui, Jianfeng Wang, Wenhui Duan
Electrides are special ionic solids with excess cavity-trapped electrons serving as anions. Despite the extensive studies on electrides, the interplay between electrides and magnet…