108 citations · 469 across the 12 of their papers we have counts for
10 papers · 1 filter
Controllable spin splitting in 2D Ferroelectric few-layer ${$γ}$-GeSe
Shuyi Shi, Kuan-Rong Hao, Xing-Yu Ma +2
-GeSe is a new type of layered bulk material that was recently successfully synthesized. By means of density functional theory first-principles calculations, we systematically s…
The atlas of ferroicity in two dimensional MGeX3 family: room-temperature ferromagnetic half metals and unexpected ferroelectricity and ferroelasticity
Kuan-Rong Hao, Xing-Yu Ma, Hou-Yi Lyu +3
Two-dimensional (2D) ferromagnetic and ferroelectric materials attract unprecedented attention due to the spontaneous-symmetry-breaking induced novel properties and multifarious po…
Calculated Effects of Vacancy and Ti-doping in 2D Janus MoSSe for Photocatalysis
Yi-Ming Zhao, Pengju Ren, Xing-Yu Ma +3
Two-dimensional (2D) Janus transitional metal dichalcogenides (TMDCs) have great potential for photocatalytic water splitting due to their novel properties induced by the unique ou…
High-Efficient ab initio Bayesian Active Learning Method and Applications in Prediction of Two-dimensional Functional Materials
Xing-Yu Ma, Hou-Yi Lyu, Kuan-Rong Hao +3
Beyond the conventional trial-and-error method, machine learning offers a great opportunity to accelerate the discovery of functional materials, but still often suffers from diffic…
Kagome quantum anomalous Hall effect with high Chern number and large band gap
Zhen Zhang, Jing-Yang You, Xing-Yu Ma +2
Due to the potential applications in the low-power-consumption spintronic devices, the quantum anomalous Hall effect (QAHE) has attracted tremendous attention in past decades. Howe…
Voting Data-Driven Regression Learning for Discovery of Functional Materials and Applications to Two-Dimensional Ferroelectric Materials
Xing-Yu Ma, Hou-Yi Lyu, Xue-Juan Dong +4
Regression machine learning is widely applied to predict various materials. However, insufficient materials data usually leads to a poor performance. Here, we develop a new voting…
Large Family of Two-Dimensional Ferroelectric Metals Discovered via Machine Learning
Xing-Yu Ma, Hou-Yi Lyu, Kuan-Rong Hao +4
Ferroelectricity and metallicity are usually believed not to coexist because conducting electrons would screen out static internal electric fields. In 1965, Anderson and Blount pro…
Accelerated Discovery of Two-Dimensional Optoelectronic Octahedral Oxyhalides via High-Throughput Ab Initio Calculations and Machine Learning
Xing-Yu Ma, James P. Lewis, Qing-Bo Yan +1
Traditional trial-and-error methods are obstacles for large-scale searching of new optoelectronic materials. Here, we introduce a method combining high-throughput ab initio calcula…
Carboneyane: A nodal line topological carbon with sp-sp2-sp3 chemical bonds
Jing-Yang You, Xing-Yu Ma, Zhen Zhang +4
A structurally stable carbon allotrope with plentiful topological properties is predicted by means of first-principles calculations. This novel carbon allotrope possesses the simpl…
High-pressure x-ray diffraction study of SrMoO4 and pressure-induced structural changes
Daniel Errandonea, Ravhi S. Kumar, Xinghua Ma +1
SrMoO4 was studied under compression up to 25 GPa by angle-dispersive x-ray diffraction. A phase transition was observed from the scheelite-structured ambient phase to a monoclinic…