51 citations · 143 across the 11 of their papers we have counts for
11 papers
Chemical control of polymorphism and ferroelectricity in PbTiO3 and SrTiO3 monolayers and bilayers
Shaowen Xu, Jeffrey R. Reimers, Fanhao Jia +1
Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many app…
Out-of-plane displacement of quantum color centers in monolayer h-BN
Zhao Tang, Fanhao Jia, Greis J. Kim-Reyes +3
Color centers exhibiting deep-level states within the wide bandgap h-BN monolayer possess substantial potential for quantum applications. Uncovering precise geometric characteristi…
Quasiparticle and Excitonic Structures of Few-layer and Bulk GaSe: Interlayer Coupling, Self-energy, and Electron-hole Interaction
Fanhao Jia, Zhao Tang, Greis J. Cruz +4
Metal monochalcogenide GaSe is a classic layered semiconductor that has received increasing research interest due to its highly tunable electronic and optical properties for ultrat…
Intrinsic Piezoelectric Anisotropy of Tetragonal ABO3 Perovskites: A High-Throughput Study
Fanhao Jia, Shaowen Xu, Shunbo Hu +5
A comprehensive understand of the intrinsic piezoelectric anisotropy stemming from diverse chemical and physical factors is a key step for the rational design of highly anisotropic…
The structural stability and polarization analysis of rhombohedral phase HfO2
Wenbin Ouyang, Fanghao Jia, Wei Ren
A comparative theoretical study is presented for the rhombohedral R3 and R3m phase HfO2, of two possible forms in its heavily Zr-doped ferroelectric thin films found recently in ex…
Stacking up electron-rich and electron-deficient monolayers to achieve extraordinary mid- to far-infrared excitonic absorption: Interlayer excitons in the C3B/C3N bilayer
Zhao Tang, Greis J. Cruz, Fanhao Jia +3
Our ability to efficiently detect and generate far-infrared (i.e., terahertz) radiation is vital in areas spanning from biomedical imaging to interstellar spectroscopy. Despite dec…
Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSiN
Yabei Wu, Zhao Tang, Weiyi Xia +6
The electronic structure of two-dimensional (2D) materials are inherently prone to environmental perturbations, which may pose significant challenges to their applications in elect…
Two-dimensional Ferroelectric Ferromagnetic Half Semiconductor in VOF monolayer
Shaowen Xu, Fanhao Jia, Guodong Zhao +2
Two-dimensional (2D) multiferroics have been casted great attention owing to their promising prospects for miniaturized electronic and memory devices.Here, we proposed a highly sta…
Predicting Intrinsic Antiferromagnetic and Ferroelastic MnF4 monolayer with Controllable Magnetization
Shaowen Xu, Fanhao Jia, Xuli Cheng +1
Two-dimensional (2D) multiferroic materials with controllable magnetism have promising prospects in miniaturized quantum device applications, such as high-density data storage and…
Predicting the Structural, Electronic and Magnetic Properties of Few Atomic-layer Polar Perovskite
Shaowen Xu, Fanhao Jia, Shunbo Hu +7
Density functional theory (DFT) calculations are performed to predict the structural, electronic and magnetic properties of electrically neutral or charged few-atomic-layer (AL) ox…
Tunable Magnetism and Insulator-Metal Transition in Bilayer Perovskites
Shaowen Xu, Fanhao Jia, Guodong Zhao +3
Two-dimensional (2D) transition-metal oxide perovskites greatly expand the field of available 2D multifunctional material systems. Here, based on density functional theory calculat…