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20182023
most citedUnconventional Materials: the mismatch between electronic charge centers and atomic positions

73 citations · 357 across the 10 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

6 papers · 1 filter

cond-mat.mtrl-sci2023★ 1 cited

Selenium / Tellurium Two-Dimensional Structures: from Isovalent Se Dopants in Te to Atomically Thin Se Films

Guangyao Miao, Nuoyu Su, Ze Yu +7

Two-dimensional (2D) elemental semiconductors have great potential for device applications, but their performance is limited by the lack of efficient doping methods. Here, combinin…

cond-mat.mtrl-sci2022★ 37 cited

Screening promising CsV3Sb5-like kagome materials from systematic first-principles evaluation

Yutao Jiang, Ze Yu, Yuxin Wang +4

CsV3Sb5 kagome lattice holds the promise for manifesting electron correlation, topology and superconducting. However, by far only three CsV3Sb5-like kagome materials have been expe…

cond-mat.mtrl-sci2021★ 38 cited

A universal model for the formation energy prediction of inorganic compounds

Yingzong Liang, Mingwei Chen, Yanan Wang +5

Harnessing the recent advance in data science and materials science, it is feasible today to build predictive models for materials properties. In this study, we employ the data of…

cond-mat.mtrl-sci2021★ 73 cited

Unconventional Materials: the mismatch between electronic charge centers and atomic positions

Jiacheng Gao, Yuting Qian, Huaxian Jia +5

The complete band representations (BRs) have been constructed in the work of topological quantum chemistry. Each BR is expressed by either a localized orbital at a Wyckoff site in…

cond-mat.mtrl-sci2019★ 48 cited

Flat AgTe Honeycomb Monolayer with Topologically Nontrivial States

Bing Liu, Jian Liu, Guangyao Miao +9

The intriguing properties, especially Dirac physics in graphene, have inspired the pursuit of two-dimensional materials in honeycomb structure. Here we achieved a monolayer transit…

cond-mat.mtrl-sci2018★ 72 cited

Screening magnetic two-dimensional atomic crystals with nontrivial electronic topology

Hang Liu, Jia-Tao Sun, Miao Liu +1

To date only a few two-dimensional (2D) magnetic crystals were experimentally confirmed, such as CrI3 and CrGeTe3, all with very low Curie temperatures (TC). High-throughput first-…