The atomistic origin of the inverse piezoelectric effect in α-quartz

Kochin, V.A.; Davaasambuu, Jav; Pietsch, U.; Schwarz, K.; Blaha, Peter

doi:10.1016/j.jpcs.2004.08.008

Cited by 7 publications

(7 citation statements)

References 13 publications

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“…Their magnitudes are given in Table for α-GeO 2 and α-SiO 2 . Although the piezoelectric-stress elements in α-SiO 2 were intensively studied, − those in α-GeO 2 have never been measured on a high-quality water-free single crystal, only estimated. Our calculated values for α-SiO 2 are in acceptable agreement with the experimental ones − and previous DFT calculations using hybrid functionals. , For α-GeO 2 , our calculations give: e 11 = 0.220 C/m 2 and e 14 = 0.169 C/m 2 .…”

Section: Resultsmentioning

confidence: 99%

Piezoelectric Response in α-Quartz-Type GeO₂

Hermet

2015

J. Phys. Chem. C

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Density functional perturbation theory is used to study the mechanism of the piezoelectric response in α-GeO2 and to estimate its magnitude. To date, its piezoelectric-stress elements have never been calculated using this level of theory nor measured on a high-quality water-free single crystal. Our calculations predict that the value of e 11 piezoelectric-stress is about 50% higher than in α-quartz. This enhancement is due to larger tetrahedra distortions and/or a lower frequency of the dominant polar E-mode. In contrast to α-quartz, α-GeO2 has also a sizable e 14 value that reaches 0.169 C/m2.

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Section: Resultsmentioning

confidence: 99%

Piezoelectric Response in α-Quartz-Type GeO₂

Hermet

2015

J. Phys. Chem. C

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“…The recent study of the inverse piezo-electric effect in α-quartz performed with the Wien2k code [3] provides a nice example of the use of the sawtooth technique [103]: both the atomic displacements and the change of the structure factors as a function of the field strength were calculated, in fair agreement with the experiment.…”

Section: The Effect Of External Fieldsmentioning

confidence: 67%

Electron Densities and Related Properties from the ab-initio Simulation of Crystalline Solids

Pisani

Dovesi

Erba

et al. 2011

Modern Charge-Density Analysis

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This chapter deals with the charge, spin and momentum densities of electrons in crystalline solids as obtained from ab-initio simulations. It describes stateof-the-art approaches using plane waves or local basis functions, and comments on their main advantages and drawbacks. The influence of computational parameters on densities is demonstrated by way of examples. Ongoing developments are briefly discussed: thermal effects, response to external perturbations, post-Hartree Fock treatment of electron correlation.

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“…In 1880, J. Curie and P. Curie discovered the tourmalines possess the direct piezoelectric effects [1,2]. And they verified the inverse piezoelectric effects through experiments in 1881, attaining the direct and inverse piezoelectric constants [3]. More than half a century later, the direct and inverse piezoelectric effects have been found in many practical applications.…”

Section: Introductionmentioning

confidence: 99%

One underlying mechanism for two piezoelectric effects in the octonion spaces

Weng

2022

Eur. Phys. J. Plus

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The paper aims to apply the algebra of octonions to explore the contributions of external derivative of electric moments and so forth on the induced electric currents, revealing a few major influencing factors relevant to the direct and inverse piezoelectric effects. J. C. Maxwell was the first to adopt the algebra of quaternions to describe the physical quantities of electromagnetic fields. The contemporary scholars utilize the quaternions and octonions to research the physical properties of electromagnetic and gravitational fields. The application of octonions is able to study the physical quantities of electromagnetic and gravitational fields, including the octonion field strength, field source, linear moment, angular moment, torque and force. When the octonion force is equal to zero, it is capable of achieving eight independent equations, including the force equilibrium equation, fluid continuity equation, current continuity equation, and second-precession equilibrium equation and others. One of inferences derived from the second-precession equilibrium equation is that the electric current and derivative of electric moments are able to excite each other. The external derivative of electric moments can induce the electric currents. Meanwhile the external electric currents are capable of inducing the derivative of electric moments. The research states that this inference can be considered as the underlying mechanism for the direct and inverse piezoelectric effects. Further the second-precession equilibrium equation is able to predict several new influencing factors of direct and inverse piezoelectric effects.

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The atomistic origin of the inverse piezoelectric effect in α-quartz

Cited by 7 publications

References 13 publications

Piezoelectric Response in α-Quartz-Type GeO₂

Piezoelectric Response in α-Quartz-Type GeO₂

Electron Densities and Related Properties from the ab-initio Simulation of Crystalline Solids

One underlying mechanism for two piezoelectric effects in the octonion spaces

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The atomistic origin of the inverse piezoelectric effect in α-quartz

Cited by 7 publications

References 13 publications

Piezoelectric Response in α-Quartz-Type GeO2

Piezoelectric Response in α-Quartz-Type GeO2

Electron Densities and Related Properties from the ab-initio Simulation of Crystalline Solids

One underlying mechanism for two piezoelectric effects in the octonion spaces

Contact Info

Product

Resources

About

Piezoelectric Response in α-Quartz-Type GeO₂

Piezoelectric Response in α-Quartz-Type GeO₂