First-principles calculations of electrical properties, structure, and phase transition of K1−xNaxNbO3 solid solutions-Reference-Cited by-同舟云学术

First-principles calculations of electrical properties, structure, and phase transition of K1−xNaxNbO3 solid solutions

Published:2017 Issue:40 Volume:19 Page:27368-27373
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yang Dong¹²³⁴⁵,Chai Qizhen¹²³⁴⁵,Wei Lingling⁶⁴⁴⁵⁷,Chao Xiaolian¹²³⁴⁵,Yang Zupei¹²³⁴⁵^ORCID

Affiliation:

1. Key Laboratory for Macromolecular Science of Shaanxi Province

2. Shaanxi Key Laboratory for Advanced Energy Devices

3. School of Materials Science and Engineering

4. Shaanxi Normal University

5. Xi’an

6. School of Chemistry and Chemical Engineering

7. P. R. China

Abstract

The structure, total energy and orthorhombic as well as tetragonal electronic properties of K_1−xNa_xNbO₃ (KNN) as a function of Na concentration were studied with first principles calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP05728H

Reference29 articles.

1. Lead-free piezoceramics

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4. Growth and optical properties of paraelectric K1-yNayTa1-xNbxO3 single crystals

5. Perovskite (Na0.5K0.5)1−x(LiSb)xNb1−xO3 lead-free piezoceramics

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