Calculation of electric field and optical transitions in InGaN∕GaN quantum wells

We present analytical expressions for internal electric field and strain in single and multiple quantum wells, incorporating electromechanical coupling, spontaneous polarization, and periodic boundary conditions. Internal fields are typically 2% lower than the fields calculated using an uncoupled model. We point out two possible interpolation routes to calculate the piezoelectric (PZ) constants eij of an alloy from the PZ constants of the constituent materials and show that, for an In0.2Ga0.8N∕GaN quantum well system, the respective internal electric fields differ by 10%. Using an effective-mass model, we explore the effect of the uncertainty in the elastic and PZ constants of GaN on the internal field and optical transitions of InGaN∕GaN quantum wells, and find that the range of published values of eij produces an uncertainty of more than ±20% in the internal field and of more than ±30% in the blueshift in optical transition energy between zero bias and flatband conditions (when the applied field is equa...

[1]  Yotaro Murakami,et al.  Preparation and optical properties of Ga1−xInxN thin films , 1975 .

[2]  J. B. Mckitterick.  First-principles calculation of the dielectric properties of GaAs: Dielectric constant, effective charges, and piezoelectric constant , 1983 .

[3]  S. Nakamura,et al.  Brillouin scattering study in the GaN epitaxial layer , 1996 .

[4]  T. Sota,et al.  Elastic constants of III-V compound semiconductors : modification of Keyes' relation , 1996 .

[5]  Izabella Grzegory,et al.  Elastic constants of gallium nitride , 1996 .

[6]  Kim,et al.  Elastic constants and related properties of tetrahedrally bonded BN, AlN, GaN, and InN. , 1996, Physical review. B, Condensed matter.

[7]  Michael S. Shur,et al.  Piezoresistive effect in wurtzite n‐type GaN , 1996 .

[8]  S. Nakamura,et al.  Brillouin scattering study of gallium nitride: elastic stiffness constants , 1997 .

[9]  Isamu Akasaki,et al.  Quantum-Confined Stark Effect due to Piezoelectric Fields in GaInN Strained Quantum Wells , 1997 .

[10]  David Vanderbilt,et al.  Polarization-based calculation of the dielectric tensor of polar crystals , 1997 .

[11]  E. Weber,et al.  Elastic moduli of gallium nitride , 1997 .

[12]  Alan Francis Wright,et al.  Elastic properties of zinc-blende and wurtzite AlN, GaN, and InN , 1997 .

[13]  Oliver Ambacher,et al.  Growth and applications of Group III-nitrides , 1998 .

[14]  Takayuki Sota,et al.  First-principles study on electronic and elastic properties of BN, AlN, and GaN , 1998 .

[15]  Kazuhiro Suzuki,et al.  First-Principles Study on Piezoelectric Constants in Strained BN, AlN, and GaN , 1998 .

[16]  Oliver Ambacher,et al.  Sound velocity of AlxGa1−xN thin films obtained by surface acoustic-wave measurements , 1998 .

[17]  Y. Aoyagi,et al.  Observation of confinement-dependent exciton binding energy of GaN quantum dots , 1998 .

[18]  Shigeru Nakagawa,et al.  Determination of piezoelectric fields in strained GaInN quantum wells using the quantum-confined Stark effect , 1998 .

[19]  I. L. Guy,et al.  The piezoelectric coefficient of gallium nitride thin films , 1998 .

[20]  S. Muensit,et al.  Extensional piezoelectric coefficients of gallium nitride and aluminum nitride , 1999 .

[21]  C. Choy,et al.  Piezoelectric coefficient of GaN measured by laser interferometry , 1999 .

[22]  Vincenzo Fiorentini,et al.  Spontaneous versus Piezoelectric Polarization in III–V Nitrides: Conceptual Aspects and Practical Consequences , 1999 .

[23]  Masashi Yamaguchi,et al.  Structural and vibrational properties of GaN , 1999 .

[24]  R. A. Abram,et al.  Electronic structure calculations on nitride semiconductors , 1999 .

[25]  Charles Surya,et al.  Piezoelectric coefficient of aluminum nitride and gallium nitride , 2000 .

[26]  Fulvio Tonon,et al.  Three-dimensional Green's functions in anisotropic piezoelectric solids , 2000 .

[27]  P. Harrison.  Quantum wells, wires, and dots : theoretical and computational physics , 2016 .

[28]  I. Moerman,et al.  Indium segregation in InGaN quantum-well structures. , 2000 .

[29]  F. Bernardini,et al.  Accurate calculation of polarization-related quantities in semiconductors , 2001 .

[30]  F. Bernardini,et al.  First-principles prediction of structure, energetics, formation enthalpy, elastic constants, polarization, and piezoelectric constants of AlN, GaN, and InN: Comparison of local and gradient-corrected density-functional theory , 2001 .

[31]  L. Bellaiche,et al.  Piezoelectricity of ordered (Ga0.5In0.5)N alloys , 2001 .

[32]  O. Brandt,et al.  Influence of exciton localization on the quantum efficiency of GaN/(In,Ga)N multiple quantum wells grown by molecular-beam epitaxy , 2002 .

[33]  Chih-Chung Yang,et al.  Impact of localized states on the recombination dynamics in InGaN/GaN quantum well structures , 2002 .

[34]  Jacek A. Majewski,et al.  Pyroelectric properties of Al(In)GaN/GaN hetero- and quantum well structures , 2002 .

[35]  A. Walker,et al.  Effects of piezoelectric field, bias and indium fluctuations on a InGaN–GaN single quantum well system , 2002 .

[36]  J. S. Yahng,et al.  Field-dependent carrier decay dynamics in strained In x Ga 1-x N/GaN quantum wells , 2002 .

[37]  Friedhelm Bechstedt,et al.  Properties of strained wurtzite GaN and AlN: Ab initio studies , 2002 .

[38]  E. Pan,et al.  Elastic and piezoelectric fields around a quantum dot: Fully coupled or semicoupled model? , 2002 .

[39]  S. Denbaars,et al.  Investigation of the piezoelectric polarization in (In,Ga)N/GaN multiple quantum wells grown by plasma-assisted molecular beam epitaxy , 2002 .

[40]  Takashi Mukai,et al.  Phosphor-Conversion White Light Emitting Diode Using InGaN Near-Ultraviolet Chip , 2002 .

[41]  E. Feltin,et al.  Vertical Cavity InGaN LEDs Grown by MOVPE , 2002 .

[42]  J. Chyi,et al.  Direct measurement of piezoelectric field in In0.23Ga0.77N/GaN multiple quantum wells by electrotransmission spectroscopy , 2002 .

[43]  R. Oliver.  Growth and characterisation of nitride nanostructures , 2002 .

[44]  Uwe Rossow,et al.  Composition dependence of polarization fields in GaInN/GaN quantum wells , 2003 .

[45]  Jerry R. Meyer,et al.  Band parameters for nitrogen-containing semiconductors , 2003 .

[46]  Chien-Chih Lai,et al.  Surface band-bending effects on the optical properties of indium gallium nitride multiple quantum wells , 2003 .

[47]  C. L. Choy,et al.  Piezoelectric coefficient of InN thin films prepared by magnetron sputtering , 2003 .

[48]  C. Menoni,et al.  Nonlinear polarization in nitrides revealed with hydrostatic pressure , 2003 .

[49]  W. Fan,et al.  Optical investigation of InGaN∕GaN multiple-quantum wellsunder high excitation , 2004 .

[50]  Influence of threading dislocations on the properties of InGaN-based multiple quantum wells , 2004 .

[51]  I. Guy,et al.  Piezoelectricity in indium nitride , 2004 .

[52]  AlGaInN resonant-cavity LED devices studied by electromodulated reflectance and carrier lifetime techniques , 2005 .

[53]  C. Xia,et al.  Exciton states in wurtzite InGaN strained coupled quantum dots: Effects of piezoelectricity and spontaneous polarization , 2005 .