Composition and strain dependence of the piezoelectric coefficients in InxGa1-xAs alloys

We address the issue of the composition and strain dependence of the piezoelectric effect in semiconductor materials, which is manifested by the appearance of an electric field in response to shear crystal deformation. We propose a model based on expressing the direct and dipole contributions to the polarization in terms of microscopic quantities that can be calculated by density functional theory. We show that when applied to the study of InxGa1-xAs alloys, the model is able to explain and accurately predict the often-observed discrepancies between the experimentally deduced values of e(14) and those linearly interpolated between the values of InAs and GaAs. The values of the piezoelectric coefficient predicted by our approach compare very well with values deduced from photocurrent measurements of quantum well samples grown on (111) GaAs substrates by molecular beam epitaxy.

[1]  José Luis Sánchez-Rojas,et al.  Dependence on the In concentration of the piezoelectric field in (111)B InGaAs/GaAs strained heterostructures , 1994 .

[2]  S. Q. Wang,et al.  Ab initio investigation of the pressure dependences of phonon and dielectric properties for III–V semiconductors , 2005 .

[3]  W. Ludwig,et al.  An alternative definition of ionicity on a microscopic scale , 1984 .

[4]  N. Bouarissa.  Effects of compositional disorder upon electronic and lattice properties of GaxIn1−xAs , 1998 .

[5]  Soohaeng Cho,et al.  Characterization of piezoelectric and pyroelectric properties of MOVPE-grown strained (111)A InGaAs/GaAs QW structures by modulation spectroscopy , 2003 .

[6]  Martins,et al.  Efficient pseudopotentials for plane-wave calculations. , 1991, Physical review. B, Condensed matter.

[7]  Walter A. Harrison,et al.  Electronic structure and the properties of solids , 1980 .

[8]  Leonard Kleinman,et al.  Deformation Potentials in Silicon. I. Uniaxial Strain , 1962 .

[9]  S. Shen.  Calculation of the elastic properties of semiconductors , 1994 .

[10]  Alex Zunger,et al.  Cylindrically shaped zinc-blende semiconductor quantum dots do not have cylindrical symmetry: Atomistic symmetry, atomic relaxation, and piezoelectric effects , 2005 .

[11]  J. Leymarie,et al.  INDIUM SEGREGATION EFFECTS IN (111)B-GROWN (IN, GA)AS/GAAS PIEZOELECTRIC QUANTUM WELLS , 1999 .

[12]  A. Zunger,et al.  Self-interaction correction to density-functional approximations for many-electron systems , 1981 .

[13]  J. Davies.  Elastic and piezoelectric fields around a buried quantum dot: A simple picture , 1998 .

[14]  A. G. Cullis,et al.  Anisotropy of the electron energy levels in InxGa1−xAs/GaAs quantum dots with non uniform composition , 2005 .

[15]  Xifan Wu,et al.  Importance of second-order piezoelectric effects in zinc-blende semiconductors. , 2006, Physical review letters.

[16]  D. Bimberg,et al.  InAs/GaAs pyramidal quantum dots: Strain distribution, optical phonons, and electronic structure. , 1995, Physical review. B, Condensed matter.

[17]  P. Vogl.  Dynamical effective charges in semiconductors: A pseudopotential approach , 1978 .

[18]  S. Q. Wang,et al.  First‐principles study on elastic properties and phase stability of III–V compounds , 2003 .

[19]  H. Monkhorst,et al.  SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .

[20]  Xavier Wallart,et al.  KINETIC MODEL OF ELEMENT III SEGREGATION DURING MOLECULAR BEAM EPITAXY OF III-III'-V SEMICONDUCTOR COMPOUNDS , 1995 .

[21]  M. Hopkinson,et al.  Indium segregation in (111)B GaAs-InxGa1-xAs quantum wells determined by transmission electron microscopy , 2001 .

[22]  Paolo Navaretti,et al.  Influence of composition on the piezoelectric effect and on the conduction band energy levels of inxGa1-xAs/GaAs quantum dots , 2004 .

[23]  Rees,et al.  Piezoelectric-field effects on transition energies, oscillator strengths, and level widths in (111)B-grown (In,Ga)As/GaAs multiple quantum wells. , 1993, Physical review. B, Condensed matter.

[24]  T. Bahder,et al.  Pyroelectric effect in semiconductor heterostructures , 1993 .

[25]  Soohaeng Cho,et al.  Interfacial properties of strained piezoelectric InGaAs∕GaAs quantum wells grown by metalorganic vapor phase epitaxy on (111)AGaAs , 2004 .

[26]  D. Bimberg,et al.  Electronic and optical properties of strained quantum dots modeled by 8-band k⋅p theory , 1999 .

[27]  Y. H. Chen,et al.  Characterization of piezoelectric (111)B InGaAs/GaAs p-i-n quantum well structures using photoreflectance spectroscopy , 1998 .

[28]  Soohaeng Cho,et al.  Determination of the pyroelectric coefficient in strained InGaAs/GaAs quantum wells grown on (111)B GaAs substrates , 2001 .