skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

Attention:

The NSF Public Access Repository (PAR) system and access will be unavailable from 10:00 PM ET on Thursday, February 12 until 1:00 AM ET on Friday, February 13 due to maintenance. We apologize for the inconvenience.


Title: Roadmap on ferroelectric hafnia- and zirconia-based materials and devices
Ferroelectric hafnium and zirconium oxides have undergone rapid scientific development over the last decade, pushing them to the forefront of ultralow-power electronic systems. Maximizing the potential application in memory devices or supercapacitors of these materials requires a combined effort by the scientific community to address technical limitations, which still hinder their application. Besides their favorable intrinsic material properties, HfO2–ZrO2 materials face challenges regarding their endurance, retention, wake-up effect, and high switching voltages. In this Roadmap, we intend to combine the expertise of chemistry, physics, material, and device engineers from leading experts in the ferroelectrics research community to set the direction of travel for these binary ferroelectric oxides. Here, we present a comprehensive overview of the current state of the art and offer readers an informed perspective of where this field is heading, what challenges need to be addressed, and possible applications and prospects for further development.  more » « less
Award ID(s):
1841466
PAR ID:
10469950
Author(s) / Creator(s):
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; more » ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; « less
Publisher / Repository:
AIP Publishing
Date Published:
Journal Name:
APL Materials
Volume:
11
Issue:
8
ISSN:
2166-532X
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. null (Ed.)
    Recently, the developments of two-dimensional (2D) ferroelectrics and multiferroics have attracted much more attention among researchers. These materials are useful for high-density devices for multifunctional applications such as sensors, transducers, actuators, non-volatile memories, photovoltaic, and FETs. Although several theoretical works have been reported on layered ferroelectrics, experimental work is still lacking in single to few-atomic layers of 2D ferroelectric materials. In this review, we have discussed the recent theoretical as well as experimental progress of 2D ferroelectric and multiferroic materials. The emphasis is given to the development of single to few-atomic layers of 2D ferroelectric materials. In this regard, the recent developments of 2D ferroelectric polarization on vanadium oxyhalides VOX2 (X=I, Br, Cl, and F), distorted phase d1-MoTe2, In2Se3, and SnSe are discussed. d1-MoTe2 shows Curie temperature (TC) above room temperature, while few-layered In2Se3 shows in-plane ferroelectricity and interesting domain wall dynamics in a single atomic layer of SnSe. This follows the discussion of multiferroic materials based on transition metal oxyiodide MOI2 (M=Ti, V, and Cr), double perovskite bilayer, and iron-doped In2Se3. While pristine In2Se3 shows ferroelectric properties, iron-doped In2Se3 shows multiferroicity. Finally, the potential applications of 2D ferroelectrics and multiferroics have been discussed that follow the challenges and opportunities in this field, which can guide the research community to develop next-generation 2D ferroelectric and multiferroic materials with interesting properties. 
    more » « less
  2. The rapid development and application of machine learning (ML) techniques in materials science have led to new tools for machine-enabled and autonomous/high-throughput materials design and discovery. Alongside, efforts to extract data from traditional experiments in the published literature with natural language processing (NLP) algorithms provide opportunities to develop tremendous data troves for these in silico design and discovery endeavors. While NLP is used in all aspects of society, its application in materials science is still in the very early stages. This perspective provides a case study on the application of NLP to extract information related to the preparation of organic materials. We present the case study at a basic level with the aim to discuss these technologies and processes with researchers from diverse scientific backgrounds. We also discuss the challenges faced in the case study and provide an assessment to improve the accuracy of NLP techniques for materials science with the aid of community contributions. 
    more » « less
  3. An electro-optic modulator offers the function of modulating the propagation of light in a material with an electric field and enables a seamless connection between electronics-based computing and photonics-based communication. The search for materials with large electro-optic coefficients and low optical loss is critical to increase the efficiency and minimize the size of electro-optic devices. We present a semi-empirical method to compute the electro-optic coefficients of ferroelectric materials by combining first-principles density-functional theory calculations with Landau–Devonshire phenomenological modeling. We apply the method to study the electro-optic constants, also called Pockels coefficients, of three paradigmatic ferroelectric oxides: BaTiO 3 , LiNbO 3 , and LiTaO 3 . We present their temperature-, frequency-, and strain-dependent electro-optic tensors calculated using our method. The predicted electro-optic constants agree with the experimental results, where available, and provide benchmarks for experimental verification. 
    more » « less
  4. Abstract Oxygen vacancy is the most common type of point defects in functional oxides, and it is known to have profound influence on their properties. This is particularly true for ferroelectric oxides since their interaction with ferroelectric polarization often dictates the ferroelectric responses. Here, we study the influence of the concentration of oxygen vacancies on the stability of ferroelectric domain walls (DWs) in BiFeO3, a material with a relatively narrow bandgap among all perovskite oxides, which enables strong interactions among electronic charge carriers, oxygen vacancies, and ferroelectric domains. It is found that the electronic charge carriers in the absence of oxygen vacancies have essentially no influence on the spatial polarization distribution of the DWs due to their low concentrations. Upon increasing the concentration of oxygen vacancies, charge‐neutral DWs with an originally symmetric polarization distribution symmetric around the center of the wall can develop a strong asymmetry of the polarization field, which is mediated by the electrostatic interaction between polarization and electrons from the ionization of oxygen vacancies. Strongly charged head‐to‐head DWs that are unstable without oxygen vacancies can be energetically stabilized in the off‐stoichiometric BiFeO3−δwithδ∼ 0.02 where ionization of oxygen vacancies provides sufficient free electrons to compensate the bound charge at the wall. Our results delineate the electrostatic coupling of the ionic defects and the associated free electronic charge carriers with the bound charge in the vicinity of neutral and charged DWs in perovskite ferroelectrics. 
    more » « less
  5. The growing interest in sodium-ion batteries (SIBs) is driven by scarcity and the rising costs of lithium, coupled with the urgent need for scalable and sustainable energy storage solutions. Among various cathode materials, layered transition metal oxides have emerged as promising candidates due to their structural similarity to lithium-ion battery (LIB) counterparts and their potential to deliver high energy density at reduced costs. However, significant challenges remain, including limited capacity at high charge/discharge rates and structural instability during extended cycling. Addressing these issues is critical for advancing SIB technology toward industrial applications, particularly for large-scale energy storage systems. This review provides a comprehensive analysis of layered sodium transition metal oxides, focusing on their structural properties, electrochemical performance, and degradation mechanisms. Special attention is given to the intrinsic and extrinsic factors contributing to their instability, such as structural phase transitions, and cationic/anionic redox behavior. Additionally, recent advancements in material design strategies, including doping, surface modifications, and composite formation, are discussed to highlight the progress toward enhancing the stability and performance of these materials. This work aims to bridge the knowledge gaps and inspire further innovations in the development of high-performance cathodes for sodium-ion batteries. 
    more » « less