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Density functional theory (DFT) has been adopted to understand ferroelectricity in wurtzite (WZ)-type aluminum nitride (AlN). In particular, total energy of strained WZ-phase was compared with that of non-polar (NP)-phase as a transient state during polarity switching, aiming to predict possible lowering of coercive field, Ec by lattice deformation. It is confirmed that shrinkage of c-axis length and expansion of a-axis length are favorable for reduction of Ec. In addition, predicted residual stress appearing in transient NP-phase was obviously high, such as 30 GPa. These results suggest that attention to such high residual stress may be necessary to clarify polarity switching behavior under very high electric field.

Rights:

• Creative Commons BY Attribution 4.0 International
  

Keyword: AlN, DFT, Strain, Stress, Ferrorlrctricity

Date published: 2022-07-01

Publisher: Ceramic Society of Japan

Journal:

• Journal of the Ceramic Society of Japan (ISSN: 13486535) vol. 130 issue. 7 p. 452-457 21190

Funding:

• MEXT JPMXP0112101001
• JST JPMJPR20B3

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.2109/jcersj2.21190

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Updated at: 2025-04-14 09:19:22 +0900

Published on MDR: 2025-04-14 14:56:21 +0900