First-principles calculation of the piezoelectric tensor (d)over-left-right-arrow of III-V nitrides

被引：100

作者：

Bernardini, F ^{[1
]}

Fiorentini, V

机构：

[1] Univ Cagliari, Ist Nazl Fis Mat, Cagliari, Italy

[2] Univ Cagliari, Dipartimento Fis, Cagliari, Italy

来源：

APPLIED PHYSICS LETTERS | 2002年 / 80卷 / 22期

关键词：

D O I：

10.1063/1.1482796

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We report direct first-principles density-functional calculations of the piezoelectric tensor ddown arrow relating polarization to applied stress for the binary compounds AlN, GaN, and InN. The values of ddown arrow are rather sensitive to the choice of the exchange-correlation functional, and results are presented for both the local-density and gradient approximations. A comparison with experiment and with values predicted indirectly from the elastic Cdown arrow and piezoconstant edown arrow tensors is also presented. (C) 2002 American Institute of Physics.

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页码：4145 / 4147

页数：3

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共 26 条

[1] Pyroelectric properties of Al(In)GaN/GaN hetero- and quantum well structures [J].

Ambacher, O ;

Majewski, J ;

Miskys, C ;

Link, A ;

Hermann, M ;

Eickhoff, M ;

Stutzmann, M ;

Bernardini, F ;

Fiorentini, V ;

Tilak, V ;

Schaff, B ;

Eastman, LF .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (13) :3399-3434

[2] ELECTROELASTIC PROPERTIES OF SULFIDES, SELENIDES, AND TELLURIDES OF ZINC AND CADMIUM [J].

BERLINCOURT, D ;

SHIOZAWA, LR ;

JAFFE, H .

PHYSICAL REVIEW, 1963, 129 (03) :1009-&

[3] Nonlinear macroscopic polarization in III-V nitride alloys [J].

Bernardini, F ;

Fiorentini, V .

PHYSICAL REVIEW B, 2001, 64 (08)

[4] Spontaneous polarization and piezoelectric constants of III-V nitrides [J].

Bernardini, F ;

Fiorentini, V ;

Vanderbilt, D .

PHYSICAL REVIEW B, 1997, 56 (16) :10024-10027

[5] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[6] Sound velocity of AlxGa1-xN thin films obtained by surface acoustic-wave measurements [J].

Deger, C ;

Born, E ;

Angerer, H ;

Ambacher, O ;

Stutzmann, M ;

Hornsteiner, J ;

Riha, E ;

Fischerauer, G .

APPLIED PHYSICS LETTERS, 1998, 72 (19) :2400-2402

[7] Evidence for nonlinear macroscopic polarization in III-V nitride alloy heterostructures [J].

Fiorentini, V ;

Bernardini, F ;

Ambacher, O .

APPLIED PHYSICS LETTERS, 2002, 80 (07) :1204-1206

[8] Extensional piezoelectric coefficients of gallium nitride and aluminum nitride [J].

Guy, IL ;

Muensit, S ;

Goldys, EM .

APPLIED PHYSICS LETTERS, 1999, 75 (26) :4133-4135

[9] Calculation of crystal structures, dielectric constants and piezoelectric properties of wurtzite-type crystals using ab-initio periodic Hartree-Fock method [J].

Kamiya, T .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1996, 35 (08) :4421-4426

[10] THEORY OF POLARIZATION OF CRYSTALLINE SOLIDS [J].

KINGSMITH, RD ;

VANDERBILT, D .

PHYSICAL REVIEW B, 1993, 47 (03) :1651-1654