Structural Polymorphism Kinetics Promoted by Charged Oxygen Vacancy in HfO2_2

Defects such as oxygen vacancy are widely considered to be critical for the performance of HfO2-based devices, and yet atomistic mechanisms underlying various exotic effects such as wake-up and fluid imprint remain elusive. Here, guided by a lattice-mode-matching criterion, we systematically study the phase transitions between different polymorphs of hafnia under the influences of neutral and positively charged oxygen vacancies by mapping out the minimum energy pathways using a first-principles-based variable-cell nudged elastic band technique. We find that the positively charged oxygen vacancy can substantially promote the transition of various nonpolar phases to the polar phase kinetically, enabled by a transient high-energy tetragonal phase and extreme charge-carrier-inert ferroelectricity of the polar $Pca2_1$ phase. The intricate coupling between structural polymorphism kinetics and the charge state of the oxygen vacancy has important implications for the origin of ferroelectricity in HfO$_2$-based thin films as well as wake-up, fluid imprint, and inertial switching

BPKD: Boundary Privileged Knowledge Distillation For Semantic Segmentation

Current knowledge distillation approaches in semantic segmentation tend to adopt a holistic approach that treats all spatial locations equally. However, for dense prediction, students' predictions on edge regions are highly uncertain due to contextual information leakage, requiring higher spatial sensitivity knowledge than the body regions. To address this challenge, this paper proposes a novel approach called boundary-privileged knowledge distillation (BPKD). BPKD distills the knowledge of the teacher model's body and edges separately to the compact student model. Specifically, we employ two distinct loss functions: (i) edge loss, which aims to distinguish between ambiguous classes at the pixel level in edge regions; (ii) body loss, which utilizes shape constraints and selectively attends to the inner-semantic regions. Our experiments demonstrate that the proposed BPKD method provides extensive refinements and aggregation for edge and body regions. Additionally, the method achieves state-of-the-art distillation performance for semantic segmentation on three popular benchmark datasets, highlighting its effectiveness and generalization ability. BPKD shows consistent improvements across a diverse array of lightweight segmentation structures, including both CNNs and transformers, underscoring its architecture-agnostic adaptability. The code is available at \url{https://github.com/AkideLiu/BPKD}.Comment: 17 pages, 9 figures, 9 table

SegViTv2: Exploring Efficient and Continual Semantic Segmentation with Plain Vision Transformers

This paper investigates the capability of plain Vision Transformers (ViTs) for semantic segmentation using the encoder-decoder framework and introduces \textbf{SegViTv2}. In this study, we introduce a novel Attention-to-Mask (\atm) module to design a lightweight decoder effective for plain ViT. The proposed ATM converts the global attention map into semantic masks for high-quality segmentation results. Our decoder outperforms the popular decoder UPerNet using various ViT backbones while consuming only about $5\%$ of the computational cost. For the encoder, we address the concern of the relatively high computational cost in the ViT-based encoders and propose a \emph{Shrunk++} structure that incorporates edge-aware query-based down-sampling (EQD) and query-based upsampling (QU) modules. The Shrunk++ structure reduces the computational cost of the encoder by up to $50\%$ while maintaining competitive performance. Furthermore, we propose to adapt SegViT for continual semantic segmentation, demonstrating nearly zero forgetting of previously learned knowledge. Experiments show that our proposed SegViTv2 surpasses recent segmentation methods on three popular benchmarks including ADE20k, COCO-Stuff-10k and PASCAL-Context datasets. The code is available through the following link: \url{https://github.com/zbwxp/SegVit}.Comment: IJCV 2023 accepted, 21 pages, 8 figures, 12 table

Modular development of deep potential for complex solid solutions

The multicomponent oxide solid solution is a versatile platform to tune the delicate balance between competing spin, charge, orbital, and lattice degrees of freedom for materials design and discovery. The development of compositionally complex oxides with superior functional properties has been largely empirical and serendipitous, in part due to the exceedingly complex chemistry and structure of solid solutions that span a range of length scales. The classical molecular dynamics (MD), as a powerful statistical method to investigate materials properties over large spatial and temporal scales, often plays a secondary role in computer-aided materials discovery because of the limited availability and accuracy of classical force fields. Here, we introduce the strategy of ``modular developing deep potential" (ModDP) that enables a systematic development and improvement of deep neural network-based model potential, termed as deep potential, for complex solid solutions with minimum human intervention. The converged training database associated with an end-member material is treated as an independent module and is reused to train the deep potential of solid solutions via a concurrent learning procedure. We apply ModDP to obtain classical force fields of two technologically important solid solutions, Pb$_x$Sr$_{1-x}$TiO$_3$ and Hf$_x$Zr$_{1-x}$O$_2$. For both materials systems, a single model potential is capable of predicting various properties of solid solutions including temperature-driven and composition-driven phase transitions over a wide range of compositions. In particular, the deep potential of Pb$_x$Sr$_{1-x}$TiO$_3$ reproduces a few known topological textures such as polar vortex lattice and electric dipole waves in PbTiO$_3$/SrTiO$_3$ superlattices, paving the way for MD investigations on the dynamics of topological structures in response to external stimuli.Comment: 32 pages, 9 figure

Universal digital filtering for denoising volumetric retinal OCT and OCT angiography in 3D shearlet domain

Retinal optical coherence tomography (OCT) and OCT angiography (OCTA) suffer from the degeneration of image quality due to speckle noise and bulk-motion noise, respectively. Because the cross-sectional retina has distinct features in OCT and OCTA B-scans, existing digital filters that can denoise OCT efficiently are unable to handle the bulk-motion noise in OCTA. In this Letter, we propose a universal digital filtering approach that is capable of minimizing both types of noise. Considering the retinal capillaries in OCTA are hard to differentiate in B-scans while having distinct curvilinear structures in 3D volumes, we decompose the volumetric OCT and OCTA data with 3D shearlets thus efficiently separate the retinal tissue and vessels from the noise in this transform domain. Compared with wavelets and curvelets, the shearlets provide better representation of the layer edges in OCT and the vasculature in OCTA. Qualitative and quantitative results show the proposed method outperforms the state-of-the-art OCT and OCTA denoising methods. Besides, the superiority of 3D denoising is demonstrated by comparing the 3D shearlet filtering with its 2D counterpart.Comment: This version has been accepted for publication in Opt. Let

Novel Microfiber Sensor and Its Biosensing Application for Detection of hCG Based on a Singlemode-Tapered Hollow Core-Singlemode Fiber Structure

A novel microfiber sensor is proposed and demonstrated based on a singlemode-tapered hollow core -singlemode (STHS) fiber structure. Experimentally a STHS with taper waist diameter of 26.5 μm has been fabricated and RI sensitivity of 816, 1601.86, and 4775.5 nm/RIU has been achieved with RI ranges from 1.3335 to 1.3395 , from 1.369 to 1.378, and from 1.409 to 1.4175 respectively, which agrees very well with simulated RI sensitivity of 885, 1517, and 4540 nm/RIU at RI ranges from 1.3335 to 1.337, from 1.37 to 1.374, and from 1.41 to 1.414 . The taper waist diameter has impact on both temperature and strain sensitivity of the sensor structure: (1) the smaller the waist diameter, the higher the temperature sensitivity, and experimentally 26.82 pm/°C has been achieved with a taper waist diameter of 21.4 μm; (2) as waist diameter decrease, strain sensitivity increase and 7.62 pm/με has been achieved with a taper diameter of 20.3 μm. The developed sensor was then functionalized for human chorionic gonadotropin (hCG) detection as an example for biosensing application. Experimentally for hCG concentration of 5 mIU/ml, the sensor has 0.5 nm wavelength shift, equivalent to limit of detection (LOD) of 0.6 mIU/ml by defining 3 times of the wavelength variation (0.06 nm) as measurement limit. The biosensor demonstrated relatively good reproducibility and specificity, which has potential for real medical diagnostics and other applications

Semiconducting nonperovskite ferroelectric oxynitride designed ab initio

Recent discovery of HfO2-based and nitride-based ferroelectrics that are compatible to the semiconductor manufacturing process have revitalized the field of ferroelectric-based nanoelectronics. Guided by a simple design principle of charge compensation and density functional theory calculations, we discover HfO2-like mixed-anion materials, TaON and NbON, can crystallize in the polar Pca21 phase with a strong thermodynamic driving force to adopt anion ordering spontaneously. Both oxynitrides possess large remnant polarization, low switching barriers, and unconventional negative piezoelectric effect, making them promising piezoelectrics and ferroelectrics. Distinct from HfO2 that has a wide band gap, both TaON and NbON can absorb visible light and have high charge carrier mobilities, suitable for ferroelectric photovoltaic and photocatalytic applications. This new class of multifunctional nonperovskite oxynitride containing economical and environmentally benign elements offer a platform to design and optimize high-performing ferroelectric semiconductors for integrated systems