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20212025
most citedStructure and Bonding in Amorphous Red Phosphorus

26 citations · 53 across the 11 of their papers we have counts for

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9 papers · 1 filter

cond-mat.mtrl-sci2025

Medium-range structural order in amorphous arsenic

Yuanbin Liu, Yuxing Zhou, Richard Ademuwagun +4

Medium-range order (MRO) is a key structural feature of amorphous materials, but its origin and nature remain elusive. Here, we reveal the MRO in amorphous arsenic (a-As) using adv…

cond-mat.mtrl-sci2025★ 1 cited

Full-cycle device-scale simulations of memory materials with a tailored atomic-cluster-expansion potential

Yuxing Zhou, Daniel F. Thomas du Toit, Stephen R. Elliott +2

Computer simulations have long been key to understanding and designing phase-change materials (PCMs) for memory technologies. Machine learning is now increasingly being used to acc…

cond-mat.mtrl-sci2024

The pathway to chirality in elemental tellurium

Yuxing Zhou, Stephen R. Elliott, Daniel F. Thomas du Toit +2

Chiral crystals, like chiral molecules, cannot be superimposed onto their mirror images -- a fundamental property that has been linked to interesting physical behavior and exploite…

cond-mat.mtrl-sci2024

Homopolar Chemical Bonds Induce In-Plane Anisotropy in Layered Semiconductors

Jieling Tan, Jiang-Jing Wang, Hang-Ming Zhang +6

Main-group layered binary semiconductors, in particular, the III-VI alloys in the binary Ga-Te system are attracting increasing interest for a range of practical applications. The…

cond-mat.mtrl-sci2022★ 26 cited

Structure and Bonding in Amorphous Red Phosphorus

Yuxing Zhou, Stephen R. Elliott, Volker L. Deringer

Amorphous red phosphorus (a-P) is one of the remaining puzzling cases in the structural chemistry of the elements. Here, we elucidate the structure, stability, and chemical bond-in…

cond-mat.mtrl-sci2022★ 1 cited

Unlocking device-scale atomistic modelling of phase-change memory materials

Yuxing Zhou, Wei Zhang, En Ma +1

Quantum-accurate computer simulations play a central role in understanding phase-change materials (PCMs) for advanced memory technologies. However, direct quantum-mechanical simula…

cond-mat.mtrl-sci2021

Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure

Yuxing Zhou, William Kirkpatrick, Volker L. Deringer

Amorphous phosphorus (a-P) has long attracted interest because of its complex atomic structure, and more recently as an anode material for batteries. However, accurately describing…

cond-mat.mtrl-sci2021★ 20 cited

Bonding nature and optical contrast of / phase-change heterostructure

Xudong Wang, Yue Wu, Yuxing Zhou +2

Chalcogenide phase-change materials (PCMs) are regarded as the leading candidate for storage-class non-volatile memory and neuro-inspired computing. Recently, using the /$S…

cond-mat.mtrl-sci2021★ 4 cited

Unraveling the optical contrast in Sb2Te and AgInSbTe phase-change materials

Shehzad Ahmed, Xudong Wang, Yuxing Zhou +3

Chalcogenide phase-change materials (PCMs) show a significant contrast in optical reflectivity and electrical resistivity upon crystallization from the amorphous phase and are lead…