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20102024
most citedDesign of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation

1k citations

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19 papers · 1 filter

cond-mat.mtrl-sci202227 cited

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…

cond-mat.mtrl-sci2021

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…

cond-mat.mtrl-sci202136 cited

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…

cond-mat.mtrl-sci202110 cited

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…

cond-mat.mtrl-sci202016 cited

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…

cond-mat.mtrl-sci20191 cited

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…