Origin of enhanced piezoelectric constants of MgNbAlN studied by first-principles calculations

Tagami, Katsunori; Kōga, Junichiro; Nohara, Yoshiro; Usami, Mamoru

doi:10.7567/jjap.56.058004

Cited by 16 publications

(19 citation statements)

References 22 publications

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“…Li+V/Nb/Ta co-doping can be good alternatives of Sc doping in terms of piezoelectric response. Also, d 33 and d 33,f of these co-dopants in the doping range of 0-37.5% are quite comparable with these of other reported co-dopants e.g., 1pentavalent:1bivalent [23,36] or 1tetravalent:1bivalent [15,16] co-doping.…”

Section: Resultssupporting

confidence: 86%

“…The enhancement in d 33 and d 33,f is mainly due to the softening of elastic constant C 33 and increase of e 33 as the concentration of co-dopants increases (shown in Figure 3(c,d)). Similar mechanism is observed in other dopants e.g., Sc [35] or other dopants [15,36,22]. Figure 1 indicates that these dopants lead the polar wurtzite structure close to a phase transition to non-polar hexagonal structure, which results in the softening of C 33 [35,12].…”

Section: Resultssupporting

confidence: 68%

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Large Piezoelectric Response and Ferroelectricity in Li and V/Nb/Ta Co-Doped w-AlN

Noor‐A‐Alam

Olszewski

Campanella

et al. 2020

ACS Appl. Mater. Interfaces

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Based on density functional theory, we show that Li andX (X=V, Nb and Ta) co-doping in 1Li:1X ratio broadens thecompositional freedom for significant piezoelectric enhancement in w-AlN, promising them to be good alternatives of expensive Sc. Interestingly, these co-doped w-AlN also show quite large spontaneous electric polarization about 0.80 C/m2 with the possibility of ferroelectric polarization switching, opening new possibilities in wurtzite nitrides. Increase in piezoelectric stress constant (e33) with decrease in elastic constant ( C33 ) results enhancement in piezoelectric strain constant ( d33 ), which is desired for improving the performance of resonators for high frequency RF signals. Also, these co-doped w-AlN are potential lead-free piezoelectric materials for energy harvesting and sensors as they improve the longitudinal electromechanical coupling constant (K^2 33), transverse piezoelectric strain constant (d31), and figure of merit for power generation. However, the enhancement in K^2 33 is not as pronounced as that in d33, because co-doping increases the dielectric constant. The longitudinal acoustic wave velocity (7.09 km/s) of Li0.1875Ta0.1875Al0.625N is quite comparable with that of commercially used piezoelectric LiNbO3 or LiTaO3 in special cuts (about 5~7 km/s) despite the fact that the acoustic wave velocities drop with co-doping or Sc concentration. File list (2)download file view on ChemRxiv codoped-AlN.pdf (0.93 MiB) download file view on ChemRxiv codoped-

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Section: Resultssupporting

confidence: 86%

Section: Resultssupporting

confidence: 68%

Large Piezoelectric Response and Ferroelectricity in Li and V/Nb/Ta Co-Doped w-AlN

Noor‐A‐Alam

Olszewski

Campanella

et al. 2020

ACS Appl. Mater. Interfaces

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show abstract

“…Therefore, Li+V/Nb/Ta co-doping can be good alternatives of Sc doping in terms of piezoelectric response. Also, d 33 and d 33,f of these co-dopants in the doping range of 0-37.5% are quite comparable with these of other reported co-dopants e.g., 1pentavalent:1bivalent [23,36] or 1tetravalent:1bivalent [15,16] co-doping.…”

Section: Resultssupporting

confidence: 86%

Large Piezoelectric Response and Ferroelectricity in Li and V/Nb/Ta co-doped w-AlN

Noor‐A‐Alam¹,

Olszewski²,

Campanella³

et al. 2020

Preprint

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<div>Based on density functional theory, we show that Li and</div><div>X (X=V, Nb and Ta) co-doping in 1Li:1X ratio broadens the</div><div>compositional freedom for significant piezoelectric enhancement in w-AlN, promising them to be good alternatives of expensive Sc. Interestingly, these co-doped w-AlN also show quite large spontaneous electric polarization about 0.80 C/m2 with the possibility of ferroelectric polarization switching, opening new possibilities in wurtzite nitrides. Increase in piezoelectric stress constant (e33) with decrease in elastic constant ( C33 ) results enhancement in piezoelectric strain constant ( d33 ), which is desired for improving the performance of resonators for high frequency RF signals. Also, these co-doped w-AlN are potential lead-free piezoelectric materials for energy harvesting and sensors as they improve the longitudinal electromechanical coupling constant (K^2 33), transverse piezoelectric strain constant (d31), and figure of merit for power generation. However, the enhancement in K^2 33 is not as pronounced as that in d33, because co-doping increases the dielectric constant. The longitudinal acoustic wave velocity (7.09 km/s) of Li0.1875Ta0.1875Al0.625N is quite comparable with that of commercially used piezoelectric LiNbO3 or LiTaO3 in special cuts (about 5~7 km/s) despite the fact that the acoustic wave velocities drop with co-doping or Sc concentration.</div>

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“…The elements include Sc [ 26 , 27 , 45 , 46 , 47 , 48 , 49 ], Ti [ 50 , 51 ], Ta [ 25 , 52 ], V [ 52 ], Y [ 53 ], Mg [ 54 ], and Er [ 55 ]. The co-doping element includes Mg+Zr [ 56 , 57 ], Mg+Hf [ 57 , 58 ], Mg+Nb [ 59 , 60 ], and Mg+Ti [ 61 ]. Sc, Ta, Y, and Er increase the piezoelectric properties of the film within a certain doping concentration range.…”

Section: Methodsmentioning

confidence: 99%

Materials, Design, and Characteristics of Bulk Acoustic Wave Resonator: A Review

et al. 2020

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With the rapid commercialization of fifth generation (5G) technology in the world, the market demand for radio frequency (RF) filters continues to grow. Acoustic wave technology has been attracting great attention as one of the effective solutions for achieving high-performance RF filter operations while offering low cost and small device size. Compared with surface acoustic wave (SAW) resonators, bulk acoustic wave (BAW) resonators have more potential in fabricating high- quality RF filters because of their lower insertion loss and better selectivity in the middle and high frequency bands above 2.5 GHz. Here, we provide a comprehensive review about BAW resonator researches, including materials, structure designs, and characteristics. The basic principles and details of recently proposed BAW resonators are carefully investigated. The materials of poly-crystalline aluminum nitride (AlN), single crystal AlN, doped AlN, and electrode are also analyzed and compared. Common approaches to enhance the performance of BAW resonators, suppression of spurious mode, low temperature sensitivity, and tuning ability are introduced with discussions and suggestions for further improvement. Finally, by looking into the challenges of high frequency, wide bandwidth, miniaturization, and high power level, we provide clues to specific materials, structure designs, and RF integration technologies for BAW resonators.

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Origin of enhanced piezoelectric constants of MgNbAlN studied by first-principles calculations

Cited by 16 publications

References 22 publications

Large Piezoelectric Response and Ferroelectricity in Li and V/Nb/Ta Co-Doped w-AlN

Large Piezoelectric Response and Ferroelectricity in Li and V/Nb/Ta Co-Doped w-AlN

Large Piezoelectric Response and Ferroelectricity in Li and V/Nb/Ta co-doped w-AlN

Materials, Design, and Characteristics of Bulk Acoustic Wave Resonator: A Review

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