Half-Heusler Semiconductors as Piezoelectrics

被引：194

作者：

Roy, Anindya ^{[1
]}

Bennett, Joseph W. ^{[1
]}

Rabe, Karin M. ^{[1
]}

Vanderbilt, David ^{[1
]}

机构：

[1] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA

来源：

PHYSICAL REVIEW LETTERS | 2012年 / 109卷 / 03期

关键词：

FUNCTIONAL PERTURBATION-THEORY; CRYSTAL-STRUCTURE; PSEUDOPOTENTIALS; 1ST-PRINCIPLES;

D O I：

10.1103/PhysRevLett.109.037602

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We use a first-principles rational-design approach to demonstrate the potential of semiconducting half-Heusler compounds as a previously unrecognized class of piezoelectric materials. We perform a high-throughput scan of a large number of compounds, testing for insulating character and calculating structural, dielectric, and piezoelectric properties. Our results provide guidance for the experimental realization and characterization of high-performance materials in this class that may be suitable for practical applications.

引用

页数：5

共 40 条

[1] Strain effects on electronic and dynamical properties of half-Heusler semiconductors: insights from Meta-GGA
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PHYSICA SCRIPTA, 2024, 99 (06)
[2] Computational investigation of half-Heusler compounds for spintronics applications
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Hegde, Vinay I.
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Ghosh, Avik W.
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PHYSICAL REVIEW B, 2017, 95 (02)
[3] MgPdSb-An Electron-Deficient Half-Heusler Phase
Winiarski, Michal J.
Stolecka, Kamila
Litzbarski, Leszek
Tran, Thao T.
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Klimczuk, Tomasz
JOURNAL OF PHYSICAL CHEMISTRY C, 2022, 126 (33) : 14229 - 14235
[4] Oxidation of half-Heusler NiTiSn materials: Implications for thermoelectric applications
Berche, A.
Jund, P.
INTERMETALLICS, 2018, 92 : 62 - 71
[5] Power factor enhancement in a composite based on the half-Heusler antimonide TmNiSb
Synoradzki, Karol
Ciesielski, Kamil
Kepinski, Leszek
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JOURNAL OF APPLIED PHYSICS, 2018, 123 (23)
[6] Molecular beam epitaxy of a half-Heusler topological superconductor candidate YPtBi
Kim, Jiwoong
Fijalkowski, Kajetan M.
Kleinlein, Johannes
Schumacher, Claus
Markou, Anastasios
Gould, Charles
Schreyeck, Steffen
Felser, Claudia
Molenkamp, Laurens W.
PHYSICAL REVIEW MATERIALS, 2023, 7 (02)
[7] First-principles investigation of half-metallic ferromagnetism of half-Heusler compounds XYZ
Feng, L.
Liu, E. K.
Zhang, W. X.
Wang, W. H.
Wu, G. H.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2014, 351 : 92 - 97
[8] Half-Heusler phase related structural perturbations near stoichiometric composition FeZnSb
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JOURNAL OF SOLID STATE CHEMISTRY, 2011, 184 (05) : 1159 - 1164
[9] Pressure-induced structural phase transition in the half-Heusler compound CaAuBi
Xie, Lilia S.
Schoop, Leslie M.
Medvedev, Sergey A.
Felser, Claudia
Cava, R. J.
SOLID STATE SCIENCES, 2014, 30 : 6 - 10
[10] Optical and transport proprieties of γ NaBeAs half-Heusler material for green energy harvesting applications
Toual, Y.
Mouchou, S.
Fakrach, B.
Azouaoui, A.
Bouslykhane, K.
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PHYSICA B-CONDENSED MATTER, 2025, 706

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