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Title: Review of high-throughput approaches to search for piezoelectric nitrides

Abstract

Piezoelectric materials are commonplace in modern devices, and the prevalence of these materials is poised to increase in the years to come. The majority of known piezoelectrics are oxide materials, due in part to the related themes of a legacy of ceramists building off of mineralogical crystallography and the relative simplicity of fabricating oxide specimens. However, diversification beyond oxides offers exciting opportunities to identify and develop new materials perhaps better suited for certain applications. Aluminum nitride (and recently, its Sc-modified derivative) is the only commercially integrated piezoelectric nitride in use today, although this is likely to change in the near future with increased use of high-throughput techniques for materials discovery and development. This review covers modern methods - both computational and experimental - that have been developed to explore chemical space for new materials with targeted characteristics. Here, the authors focus on the application of computational and high-throughput experimental approaches to discovering and optimizing piezoelectric nitride materials. While the focus of this review is on the search for and development of new piezoelectric nitrides, most of the research approaches discussed in this article are both chemistry- and application-agnostic.

Authors:
 [1];  [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Colorado School of Mines, Golden, CO (United States). Dept. of Metallurgical and Materials Engineering; National Renewable Energy Lab. (NREL), Golden, CO (United States). Materials Science Center
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States). Materials Science Center
  3. Colorado School of Mines, Golden, CO (United States). Dept. of Metallurgical and Materials Engineering
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1575193
Alternate Identifier(s):
OSTI ID: 1571676
Report Number(s):
NREL/JA-5K00-74969
Journal ID: ISSN 0734-2101
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Vacuum Science and Technology. A, Vacuum, Surfaces and Films
Additional Journal Information:
Journal Volume: 37; Journal Issue: 6; Journal ID: ISSN 0734-2101
Publisher:
American Vacuum Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; piezoelectric materials; polymorphism; thin films; nitrides; ceramics; chemical space; phase transitions

Citation Formats

Talley, Kevin R., Sherbondy, Rachel, Zakutayev, Andriy, and Brennecka, Geoff L. Review of high-throughput approaches to search for piezoelectric nitrides. United States: N. p., 2019. Web. doi:10.1116/1.5125648.
Talley, Kevin R., Sherbondy, Rachel, Zakutayev, Andriy, & Brennecka, Geoff L. Review of high-throughput approaches to search for piezoelectric nitrides. United States. doi:10.1116/1.5125648.
Talley, Kevin R., Sherbondy, Rachel, Zakutayev, Andriy, and Brennecka, Geoff L. Thu . "Review of high-throughput approaches to search for piezoelectric nitrides". United States. doi:10.1116/1.5125648. https://www.osti.gov/servlets/purl/1575193.
@article{osti_1575193,
title = {Review of high-throughput approaches to search for piezoelectric nitrides},
author = {Talley, Kevin R. and Sherbondy, Rachel and Zakutayev, Andriy and Brennecka, Geoff L.},
abstractNote = {Piezoelectric materials are commonplace in modern devices, and the prevalence of these materials is poised to increase in the years to come. The majority of known piezoelectrics are oxide materials, due in part to the related themes of a legacy of ceramists building off of mineralogical crystallography and the relative simplicity of fabricating oxide specimens. However, diversification beyond oxides offers exciting opportunities to identify and develop new materials perhaps better suited for certain applications. Aluminum nitride (and recently, its Sc-modified derivative) is the only commercially integrated piezoelectric nitride in use today, although this is likely to change in the near future with increased use of high-throughput techniques for materials discovery and development. This review covers modern methods - both computational and experimental - that have been developed to explore chemical space for new materials with targeted characteristics. Here, the authors focus on the application of computational and high-throughput experimental approaches to discovering and optimizing piezoelectric nitride materials. While the focus of this review is on the search for and development of new piezoelectric nitrides, most of the research approaches discussed in this article are both chemistry- and application-agnostic.},
doi = {10.1116/1.5125648},
journal = {Journal of Vacuum Science and Technology. A, Vacuum, Surfaces and Films},
number = 6,
volume = 37,
place = {United States},
year = {2019},
month = {10}
}

Journal Article:
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