Highly enhanced piezoelectric property of co-doped AlN

Iwazaki, Yoshiki; Yokoyama, Tsuyoshi; Nishihara, Tokihiro; Ueda, Masahiko

doi:10.7567/apex.8.061501

Cited by 60 publications

(51 citation statements)

References 24 publications

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“…In TM Compared to previously reported piezoelectric coefficients e 33 , C 33 , and d 33,f by Yokoyama et al [11,13] and Iwazaki et al [12] there is a qualitative agreement that the quarternaries will be an improvement compared to pure AlN and a competitive alternative to ScAlN. There are, however, some quantitative differences, which is expected because of the different alloy models used.…”

Section: Resultsmentioning

confidence: 58%

“…Here, we investigate the piezoelectric and elastic properties of the nine different quarternary TM x/2 M x/2 Al 1−x N (TM = Ti, Zr, Hf; M = Mg, Ca, Zn) alloys. Of these quarternaries, TiMgAlN [11,12], ZrMgAlN [11][12][13][14], and HfMgAlN [11,12] have only recently begun to be studied theoretically, and only ZrMgAlN [11,13] and HfMgAlN [11] experimentally. Moreover, we investigate the thermodynamic stability of the alloys to determine the possibilities for equilibrium or the need for nonequilibrium synthesis routes.…”

Section: Introductionmentioning

confidence: 99%

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Large piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles

et al. 2015

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The potential of quarternary wurtzite TM x/2 M x/2 Al 1−x N (TM = Ti, Zr, Hf; M = Mg, Ca, Zn) alloys for piezoelectric applications is investigated using first-principles calculations. All considered alloys show increased piezoelectric response compared to pure AlN, and competing with the best ternary system proven to date: ScAlN. (Zr,Hf) x/2 (Mg,Ca) x/2 Al 1−x N alloys are particularly promising. Calculations reveal positive mixing enthalpies indicative for phase separating systems; their values are smaller compared to related nitride alloys, which still can be grown as metastable thin films. The wurtzite phase of the alloys is lowest in energy at least up to x = 0.5 and for Ti x/2 Zn x/2 Al 1−x N in the full composition range. Moreover, calculations reveal that wurtzite TM 0.5 Zn 0.5 N (TM = Ti, Zr, Hf) are piezoelectric alloys with d 33,f = 19.95, 29.89, and 24.65 pC/N respectively, up to six times that of AlN. Finally, we discuss the physical origin behind the increased piezoelectric response and show that the energy difference between tetrahedrally coordinated zinc-blende (B3) and the layered hexagonal (B k ) phases of the TM 0.5 M 0.5 N alloy can be used as a descriptor in a high-throughput search for complex wurtzite alloys with high piezoelectric response.

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Section: Resultsmentioning

confidence: 58%

Section: Introductionmentioning

confidence: 99%

Large piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles

et al. 2015

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“…This is expected to maintain a high electromechanical coupling coefficient, which is attractive for BAW filters 32 . Instead of relying on the +3 oxidation state Sc or Y isovalent with Al, it has been predicted that codoping AlN with Mg of oxidation state +2 and Hf or Zr of oxidation state +4 in 1:1 ratio can lead to a giant enhancement in the piezoelectricity of AlN 33 . Rather remarkably, it has been experimentally found that co doping AlN with Mg and Nb leads to a 400% giant piezoelectricity enhancement 34 .…”

Section: Nitride Extreme-piezoelectrics and Ferroelectricsmentioning

confidence: 99%

The new nitrides: layered, ferroelectric, magnetic, metallic and superconducting nitrides to boost the GaN photonics and electronics eco-system

Jena

Page

Casamento

et al. 2019

Jpn. J. Appl. Phys.

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The nitride semiconductor materials GaN, AlN, and InN, and their alloys and heterostructures have been investigated extensively in the last 3 decades, leading to several technologically successful photonic and electronic devices. Just over the past few years, a number of "new" nitride materials have emerged with exciting photonic, electronic, and magnetic properties. Some examples are 2D and layered hBN and the III-V diamond analog cBN, the transition metal nitrides ScN, YN, and their alloys (e.g. ferroelectric ScAlN), piezomagnetic GaMnN, ferrimagnetic Mn4N, and epitaxial superconductor/semiconductorNbN/GaN heterojunctions. This article reviews the fascinating and emerging physics and science of these new nitride materials. It also discusses their potential applications in future generations of devices that take advantage of the photonic and electronic devices eco-system based on transistors, light-emitting diodes, and lasers that have already been created by the nitride semiconductors.

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“…It remains a challenge to explore better piezoelectric wurtzite materials; there are many reports aiming to enhance piezoelectricity by element doping or codoping into parent materials. [4][5][6][7] Among the wurtzite materials, the highest piezoelectricity has been experimentally discovered for Sc x Al 1−x N (about 25 pC=N for x ∼ 0.5).…”

mentioning

confidence: 99%

Effects of lattice parameters on piezoelectric constants in wurtzite materials: A theoretical study using first-principles and statistical-learning methods

Momida

Oguchi

2018

Appl. Phys. Express

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Longitudinal piezoelectric constant (e 33 ) values of wurtzite materials, which are listed in a structure database, are calculated and analyzed by using first-principles and statistical learning methods. It is theoretically shown that wurtzite materials with high e 33 generally have small lattice constant ratios (c/a) almost independent of constituent elements, and approximately expressed as e 33 / c/a % (c/a) 0 with ideal lattice constant ratio (c/a) 0 . This relation also holds for highly-piezoelectric ternary materials such as Sc x Al 1%x N. We conducted a search for high-piezoelectric wurtzite materials by identifying materials with smaller c/a values. It is proposed that the piezoelectricity of ZnO can be significantly enhanced by substitutions of Zn with Ca. © 2018 The Japan Society of Applied Physics I n recent times, owing to their suitable mechanical and semiconducting properties, piezoelectric wurtzite semiconductors such as ZnO and GaN have received a lot of attention in the form of piezotronics and piezo-phototronics device materials.1) The wurtzite-type piezoelectric materials, especially AlN, have another advantage that these can be used in high-temperature environments, e.g., as sensors in automobile engines, because their noncentrosymmetric structures are stable even at high temperatures.2,3) However, the piezoelectric constants of wurtzite-type materials are generally much smaller than those of the perovskite-based materials such as Pb(Zr x Ti 1−x )O 3 , known as PZT, by few orders. It remains a challenge to explore better piezoelectric wurtzite materials; there are many reports aiming to enhance piezoelectricity by element doping or codoping into parent materials. 4-7)Among the wurtzite materials, the highest piezoelectricity has been experimentally discovered for Sc x Al 1−x N (about 25 pC=N for x ∼ 0.5).2,3) First-principles calculations have shown the microscopic effects of Sc on the piezoelectricity in Sc x Al 1−x N by demonstrating an enhancement in piezoelectricity with increase in x. 8,9) Tasnádi et al. have revealed that the piezoelectric enhancement comes from the large responses of atomic positions to external strain and the significant softening of elastic constant. 8) However, novel materials which are superior to Sc x Al 1−x N have not been synthesized yet as there are no clear and general material-design criteria practically usable for enhancing the piezoelectricity of wurtzite materials. It has been proposed theoretically that there exists a relationship between piezoelectricity and microscopic structures, 10) but the physical mechanism behind the relation with intricate parameters is not fully understood yet. Therefore, better understanding of piezoelectricity in wurtzite materials might lead to simple design criteria making it possible to find a controllable key parameter describing wurtzite piezoelectricity with the help of first-principles and machine learning techniques which have generated a great interest in the recent times. 11,12) In this study, we calculate longitudinal...

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Highly enhanced piezoelectric property of co-doped AlN

Cited by 60 publications

References 24 publications

Large piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles

Large piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles

The new nitrides: layered, ferroelectric, magnetic, metallic and superconducting nitrides to boost the GaN photonics and electronics eco-system

Effects of lattice parameters on piezoelectric constants in wurtzite materials: A theoretical study using first-principles and statistical-learning methods

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