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Revisiting Structural and Electromechanical Properties of the Lead-free (K,Na)NbO3 High-Piezoelectric Material

Journal Article · · ACS Applied Materials and Interfaces
 [1];  [2];  [3]
  1. University of Arkansas, Fayetteville, AR (United States); Tel Aviv University (Israel); University of Arkansas
  2. University of Science and Technology Beijing (China)
  3. University of Arkansas, Fayetteville, AR (United States); Université Paris-Saclay, Gif-sur-Yvette (France)
+ Show Author Affiliations
Having lead-free systems with excellent piezoelectric responses is crucial to the development of environmentally friendly electromechanical applications. In this work, we build an effective Hamiltonian model to explore the promising (KxNa1–x)NbO3 system, whose rich phase diagram near x = 50% remains poorly understood meanwhile exhibiting a colossal effective piezoelectric response. Thanks to the numerical implementation of this effective Hamiltonian scheme into a Monte Carlo Metropolis algorithm, we reveal striking features. First, a long-period state can be the ground state at low temperatures for some concentrations while only a short-period conventional polar ground state exists for larger x. Second, the electric field-driven transformation, via a first-order transition, of this long-period state into a short-period polar state creates large electromechanical strains (on the order of the percent) and is likely the origin of the colossal piezoelectric response reported in KNN, for which we evaluate an effective piezoelectric coefficient of several thousands of pC/N.
Research Organization:
University of Arkansas, Fayetteville, AR (United States)
Sponsoring Organization:
DOE Office of Basic Energy Sciences; Fostering Young Scholars of the School of Mathematics and Physics, USTB; Fundamental Research Funds for the Central Universities; National Natural Science Foundation of China; USDOE Office of Science (SC), Basic Energy Sciences (BES); Vannevar Bush Faculty Fellowship (VBFF)
Grant/Contract Number:
SC0025479
OSTI ID:
2566031
Journal Information:
ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 14 Vol. 17; ISSN 1944-8244
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

(K
Na)NbO3
36 MATERIALS SCIENCE
effective Hamiltonian
high piezoelectricity
molecular structure
nanotwin states
oxygen
phase transition
polarization