Analyzing surface acoustic wave characteristics through first-principles computational methods
Source abstract
Abstract
Surface acoustic wave (SAW) characteristics were analyzed through first-principles calculations utilizing density functional theory. This study computed and compared the elastic constants, piezoelectric constants, dielectric constants, and densities of LiTaO3 and LiNbO3, which are standard materials for SAW filters, against empirical values. The velocities of SAWs and the electromechanical coupling coefficients for both Rayleigh and leaky waves were also determined, demonstrating the method’s sufficient precision for assessing SAW attributes. In addition, this approach was extended to the nitride perovskite LaWN3, evaluating its SAW characteristics. LaWN3 is projected to exhibit an electromechanical coupling coefficient comparable to that of LiTaO3 and LiNbO3, indicating its potential as a novel material for SAW filter applications.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Acoustic Wave Resonator Technologies · Ferroelectric and Piezoelectric Materials · Advanced Sensor and Energy Harvesting Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Computer-Aided Engineering and Development, Sumitomo Metal Mining Co., Ltd. , Niihama, Ehime 792-0001, Japan
References (30)
Show source-provided references
1. Acoustic wave filter technology–A review10.1109/tuffc.2017.2690905 ↗
2. Saw filters and mobile communication systems 5G
3. Next generation 5G wireless networks: A comprehensive survey10.1109/comst.2016.2532458 ↗
4. The internet-of-things: Review and research directions10.1016/j.ijresmar.2016.11.003 ↗
5. Toward high-quality epitaxial LiNbO3 and LiTaO3 thin films for acoustic and optical applications10.1002/admi.201600998 ↗
6. Interdigital sensors and transducers10.1109/jproc.2004.826603 ↗
7. Combinatorial and high-throughput screening of materials libraries: Review of state of the art10.1021/co200007w ↗
8. Machine learning in materials informatics: Recent applications and prospects10.1038/s41524-017-0056-5 ↗
9. Perspective: Materials informatics and big data: Realization of the “fourth paradigm” of science in materials science10.1063/1.4946894 ↗
10. Perovskite thin films for high-frequency capacitor applications10.1146/annurev.matsci.28.1.397 ↗
11. Insulator-metal transition and giant magnetoresistance in La1−xSrxMnO310.1103/physrevb.51.14103 ↗
12. Efficient hybrid solar cells based on meso-superstructured organometal halide perovskites10.1126/science.1228604 ↗
13. Lattice dynamics and ferroelectric properties of the nitride perovskite LaWN310.1103/physrevb.95.014111 ↗
14. Prediction of stable nitride perovskites10.1021/acs.chemmater.5b02026 ↗
15. First-principles calculations of electronic structure and optical and elastic properties of the novel ABX3-type LaWN3 perovskite structure10.1039/c9ra10735e ↗
16. Synthesis of LaWN 3 nitride perovskite with polar symmetry10.1126/science.abm3466 ↗
17. Synthesis of perovskite-type LaWN3 by high-pressure solid-state metathesis reaction10.1016/j.jssc.2022.123508 ↗
18. A method for estimating optimal crystal cuts and propagation directions for excitation of piezoelectric surface waves10.1109/t-su.1968.29477 ↗
19. Accurate measurements of the acoustical physical constants of LiNbO3 and LiTaO3 single crystals10.1109/58.796136 ↗
20. Improved material constants for LiNbO3 and LiTaO3
21. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/physrevb.54.11169 ↗
22. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
23. Generalized gradient approximation made simple10.1103/physrevlett.77.3865 ↗
24. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory10.1103/physrevb.55.10355 ↗
25. 2011
26. First-principles study on the structural, elastic, electronic and optical properties of LiNbO310.1016/j.heliyon.2019.e01436 ↗
27. Determination of elastic and piezoelectric constants for crystals in class (3m)10.1121/1.1910709 ↗
28. Temperature dependence of the elastic, piezoelectric, and dielectric constants of lithium tantalate and lithium niobate10.1063/1.1660528 ↗
29. Characterization of 36/spl deg/YX-LiTaO3 wafers by line-focus-beam acoustic microscopy10.1109/58.368309 ↗
30. Propagation and amplification of Rayleigh waves and piezoelectric leaky surface waves in LiNbO310.1063/1.1661294 ↗