Abstract

The band structure of dilute-As GaNAs alloy with the As composition range from 0% to 12.5% is studied by using First-Principle density-functional calculation. Our analysis shows that the dilute-As GaNAs alloy exhibits the direct band gap properties. The dilute-As GaNAs alloy shows a band gap range from 3.645 eV down to 2.232 eV with As content varying from 0% to 12.5%, which covers the blue and green spectral regime. This finding indicates the alloy as a potential candidate for photonic devices applications. The bowing parameter of 14.5 eV ± 0.5 eV is also obtained using line fitting with the First-Principle and experimental data. The effective masses for electrons and holes in dilute-As GaNAs alloy, as well as the split-off energy parameters, were also presented. Minimal interband Auger recombination is also suggested for the dilute-As GaNAs alloy attributing to the off-resonance condition for this process.

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  28. P. D. C. King, T. D. Veal, F. Fuchs, Ch. Y. Wang, D. J. Payne, A. Bourlange, H. Zhang, G. R. Bell, V. Cimalla, O. Ambacher, R. G. Egdell, F. Bechstedt, C. F. McConville, "Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In2O3," Phys. Rev. B, Condens. Matter 79, 205211 (2009).
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  34. M. Krames, O.B. Shchekin, R. Mueller-Mach, G.O. Mueller, L. Zhou, G. Harbers, M.G. Craford, "Status and future of high-power light-emitting diodes for solid-state lighting," J. Display Technol. 3, 160-175 (2007).
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  36. E. Kioupakis, P. Rinke, K. T. Delaney, C. G. Van de Walle, "Indirect Auger recombination as a cause of efficiency droop in nitride light emitting diodes," Appl. Phys. Lett. 98, 161107 (2011).
  37. Y. C. Shen, G. O. Mueller, S. Watanabe, N. F. Gardner, A. Munkholm, M. R. Krames, "Auger recombination in InGaN measured by photoluminescence," Appl. Phys. Lett. 91, 141101 (2007).
  38. M. H. Kim, M. F. Schubert, Q. Dai, J. K. Kim, E. F. Schubert, J. Piprek, Y. Park, "Origin of efficiency droop in GaN-based light-emitting diodes," Appl. Phys. Lett. 91, 183507 (2007).
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  40. J. Xie, X. Ni, Q. Fan, R. Shimada, U. Ozgur, H. Morkoc, "On the efficiency droop in InGaN multiple quantum well blue light emitting diodes and its reduction with p-doped quantum well barriers," Appl. Phys. Lett. 93, 121107 (2008).
  41. A. A. Efremov, N. I. Bochkareva, R. I. Gorbunov, D. A. Lavrinovich, Y. T. Rebane, D. V. Tarkhin, Y. G. Shreter, "Effect of the joule heating on the quantum efficiency and choice of thermal conditions for high-power blue InGaN/GaN LEDs," Semicond. 40, 605-610 (2006).
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2011

H. Zhao, G. Y. Liu, J. Zhang, J. D. Poplawsky, V. Dierolf, N. Tansu, "Approaches for high internal quantum efficiency green InGaN light-emitting diodes with large overlap quantum wells," Opt. Express 19, A991-A1007 (2011).

X. H. Li, R. Song, Y. K. Ee, P. Kumnorkaew, J. F. Gilchrist, N. Tansu, "Light extraction efficiency and radiation patterns of III-nitride light-emitting diodes with colloidal microlens arrays with various aspect ratios," IEEE Photon. J. 3, 489-499 (2011).

E. Kioupakis, P. Rinke, K. T. Delaney, C. G. Van de Walle, "Indirect Auger recombination as a cause of efficiency droop in nitride light emitting diodes," Appl. Phys. Lett. 98, 161107 (2011).

2010

H. Zhao, G. Liu, R. A. Arif, N. Tansu, "Current injection efficiency quenching leading to efficiency droop in InGaN quantum well light-emitting diodes," Solid State Electron. 54, 1119-1124 (2010).

K. M. Yu, S. V. Novikov, R. Broesler, C. R. Staddon, M. Hawkridge, Z. Liliental-Weber, I. Demchenko, J. D. Denlinger, V. M. Kao, F. Luckert, R. W. Martin, W. Walukiewicz, C. T. Foxon, "Non-equilibrium GaNAs alloys with band gap ranging from 0.8–3.4 eV," Physica Status Solidi (c) 7, 1847-1849 (2010).

X. Li, H. Liu, X. Ni, U. Ozgur, H. Morkoc, "Effect of carrier spillover and Auger recombination on the efficiency droop in InGaN-based blue LEDs," Superlattices and Microstructures 47, 118-122 (2010).

2009

M. H. Crawford, "LEDs for solid-state lighting: Performance chanllenges and recent advances," IEEE J. Sel. Topics Quantum Electron. 15, 1028-1040 (2009).

K. T. Delaney, P. Rinke, C. G. Van de Walle, "Auger recombination rates in nitrides from first principles," Appl. Phys. Lett. 94, 191109 (2009).

P. D. C. King, T. D. Veal, F. Fuchs, Ch. Y. Wang, D. J. Payne, A. Bourlange, H. Zhang, G. R. Bell, V. Cimalla, O. Ambacher, R. G. Egdell, F. Bechstedt, C. F. McConville, "Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In2O3," Phys. Rev. B, Condens. Matter 79, 205211 (2009).

2008

R. A. Arif, H. Zhao, N. Tansu, "Type-II InGaN-GaNAs quantum wells active regions for lasers applications," Appl. Phys. Lett. 92, 011104 (2008).

H. Zhao, R. A. Arif, N. Tansu, "Self consistent gain analysis of type-II ‘W’ InGaN-GaNAs quantum well lasers," J. Appl. Phys. 104, 043104 (2008).

J. Hader, J. V. Moloney, B. Pasenow, S. W. Koch, M. Sabathil, N. Linder, S. Lutgen, "On the importance of radiative and Auger losses in GaN-based quantum wells," Appl. Phys. Lett. 92, 261103 (2008).

J. Xie, X. Ni, Q. Fan, R. Shimada, U. Ozgur, H. Morkoc, "On the efficiency droop in InGaN multiple quantum well blue light emitting diodes and its reduction with p-doped quantum well barriers," Appl. Phys. Lett. 93, 121107 (2008).

2007

M. Shishkin, M. Marsman, G. Kresse, "Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections," Phys. Rev. Lett. 99, 246403 (2007).

M. Krames, O.B. Shchekin, R. Mueller-Mach, G.O. Mueller, L. Zhou, G. Harbers, M.G. Craford, "Status and future of high-power light-emitting diodes for solid-state lighting," J. Display Technol. 3, 160-175 (2007).

Y. C. Shen, G. O. Mueller, S. Watanabe, N. F. Gardner, A. Munkholm, M. R. Krames, "Auger recombination in InGaN measured by photoluminescence," Appl. Phys. Lett. 91, 141101 (2007).

M. H. Kim, M. F. Schubert, Q. Dai, J. K. Kim, E. F. Schubert, J. Piprek, Y. Park, "Origin of efficiency droop in GaN-based light-emitting diodes," Appl. Phys. Lett. 91, 183507 (2007).

2006

K. Laaksonen, H.-P. Komsa, E. Arola, T. T. Rantala, R. M. Nieminen, "Computational study of GaAs1-xNx and GaN1-yAsy alloys and arsenic impurities in GaN," J. Phys.: Condens. Matter 18, 10097-10114 (2006).

I. H. Brown, P. Blood, P. M. Smowton, J. D. Thomson, S. M. Olaizola, A. M. Fox, P. J. Parbrook, W. W. Chow, "Time evolution of the screening of piezoelectric fields in InGaN quantum wells," IEEE J. Quantum Electron. 42, 1202-1208 (2006).

L. Xu, D. Patel, C. S. Menoni, J. Y. Yeh, L. J. Mawst, N. Tansu, "Optical determination of the electron effective mass of strain compensated In0.4Ga0.6As0.995N0.005/GaAs single quantum well," Appl. Phys. Lett. 89, 171112 (2006).

A. A. Efremov, N. I. Bochkareva, R. I. Gorbunov, D. A. Lavrinovich, Y. T. Rebane, D. V. Tarkhin, Y. G. Shreter, "Effect of the joule heating on the quantum efficiency and choice of thermal conditions for high-power blue InGaN/GaN LEDs," Semicond. 40, 605-610 (2006).

2005

S. R. Bank, L. L. Goddard, M. A. Wistey, H. B. Yuen, J. S. Harris, "On the temperature sensitivity of 1.5-μm GaInNAsSb lasers," IEEE J. Sel. Topics Quantum Electron. 11, 1089-1098 (2005).

2004

A. Lindsay, E. P. O'Reilly, "Unification of the band anticrossing and cluster-state models of dilute nitride semiconductor alloys," Phys. Rev. Lett. 93, 196402 (2004).

A. Kimura, C. A. Paulson, H. F. Tang, T. F. Kuech, "Epitaxial GaN1-yAsy layers with high As content grown by metalorganic vapor phase epitaxy and their band gap energy," Appl. Phys. Lett. 84, 1489-1491 (2004).

J. Wu, W. Walukiewicz, K. M. Yu, J. D. Denlinger, W. Shan, J. W. Ager, IIIA. Kimura, H. F. Tang, T. F. Kuech, "Valence band hybridization in N-rich GaN1-xAsx alloys," Phys. Rev. B, Condens. Matter 70, 115214 (2004).

2003

N. Tansu, J. Y. Yeh, L. J. Mawst, "High-performance 1200-nm InGaAs and 1300-nm InGaAsN quantum-well lasers by metalorganic chemical vapor deposition," IEEE J. Sel. Topics Quantum Electron. 9, 1220-1227 (2003).

2001

S. F. Chichibu, T. Azuhata, M. Sugiyama, T. Kitamura, Y. Ishida, H. Okumura, H. Nakanishi, T. Sota, T. Mukai, "Optical and structural studies in InGaN quantum well structure laser diodes," J. Vacuum Sci. Technol. B: Microelectron. and Nanometer Structures 19, 2177-2183 (2001).

I. Vurgaftman, J. R. Meyer, L. R. Ram-Mohan, "Band parameters for III-V compound semiconductors and their alloys," J. Appl. Phys. 89, 5815-5875 (2001).

2000

C. G. Van de Walle, "Arsenic impurities in GaN," Appl. Phys. Lett. 76, 1009-1011 (2000).

1999

T. Mattila, A. Zunger, "P-P and As-As isovalent impurity pairs in GaN: Interaction of deep t2 levels," Phys. Rev. B, Condens. Matter 59, 9943-9953 (1999).

K. Uesugi, N. Morooka, I. Suemune, "Reexamination of N composition dependence of coherently grown GaNAs band gap energy with high-resolution x-ray diffraction mapping measurements," Appl. Phys. Lett. 74, 1254-1256 (1999).

1998

S. Nakamura, "The roles of structural imperfections in InGaN-based blue light-emitting diodes and laser diodes," Science 281, 956-961 (1998).

X. Li, S. Kim, E. E. Reuter, S. G. Bishop, J. J. Coleman, "The incorporation of arsenic in GaN by metalorganic chemical vapor deposition," Appl. Phys. Lett. 72, 1990-1992 (1998).

X. Li, S. G. Bishop, J. J. Coleman, "GaN epitaxial lateral overgrowth and optical characterization," Appl. Phys. Lett. 73, 1179-1181 (1998).

1996

G. Kresse, J. Furthmuller, "Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set," Phys. Rev. B, Condens. Matter 54, 11169-11186 (1996).

1995

V. Fiorentini, A. Baldereschi, "Dielectric scaling of the self-energy scissor operator in semiconductors and insulators," Phys. Rev. B, Condens. Matter 51, 17196-17198 (1995).

M. Suzuki, T. Uenoyama, "First-principles calculations of effective-mass parameters of AlN and GaN," Phys. Rev. B, Condens. Matter 52, 8132-8139 (1995).

1982

A. Sugimura, "Band-to-band Auger effect in long wavelength multinary III-V semiconductor lasers," IEEE J. Quantum Electron. QE-18, 352-363 (1982).

1967

Y. P. Varshni, "Temperature dependence of the energy gap in semiconductors," Physica 34, 149-154 (1967).

Appl. Phys. Lett.

X. Li, S. Kim, E. E. Reuter, S. G. Bishop, J. J. Coleman, "The incorporation of arsenic in GaN by metalorganic chemical vapor deposition," Appl. Phys. Lett. 72, 1990-1992 (1998).

X. Li, S. G. Bishop, J. J. Coleman, "GaN epitaxial lateral overgrowth and optical characterization," Appl. Phys. Lett. 73, 1179-1181 (1998).

K. Uesugi, N. Morooka, I. Suemune, "Reexamination of N composition dependence of coherently grown GaNAs band gap energy with high-resolution x-ray diffraction mapping measurements," Appl. Phys. Lett. 74, 1254-1256 (1999).

L. Xu, D. Patel, C. S. Menoni, J. Y. Yeh, L. J. Mawst, N. Tansu, "Optical determination of the electron effective mass of strain compensated In0.4Ga0.6As0.995N0.005/GaAs single quantum well," Appl. Phys. Lett. 89, 171112 (2006).

A. Kimura, C. A. Paulson, H. F. Tang, T. F. Kuech, "Epitaxial GaN1-yAsy layers with high As content grown by metalorganic vapor phase epitaxy and their band gap energy," Appl. Phys. Lett. 84, 1489-1491 (2004).

C. G. Van de Walle, "Arsenic impurities in GaN," Appl. Phys. Lett. 76, 1009-1011 (2000).

R. A. Arif, H. Zhao, N. Tansu, "Type-II InGaN-GaNAs quantum wells active regions for lasers applications," Appl. Phys. Lett. 92, 011104 (2008).

K. T. Delaney, P. Rinke, C. G. Van de Walle, "Auger recombination rates in nitrides from first principles," Appl. Phys. Lett. 94, 191109 (2009).

J. Hader, J. V. Moloney, B. Pasenow, S. W. Koch, M. Sabathil, N. Linder, S. Lutgen, "On the importance of radiative and Auger losses in GaN-based quantum wells," Appl. Phys. Lett. 92, 261103 (2008).

E. Kioupakis, P. Rinke, K. T. Delaney, C. G. Van de Walle, "Indirect Auger recombination as a cause of efficiency droop in nitride light emitting diodes," Appl. Phys. Lett. 98, 161107 (2011).

Y. C. Shen, G. O. Mueller, S. Watanabe, N. F. Gardner, A. Munkholm, M. R. Krames, "Auger recombination in InGaN measured by photoluminescence," Appl. Phys. Lett. 91, 141101 (2007).

M. H. Kim, M. F. Schubert, Q. Dai, J. K. Kim, E. F. Schubert, J. Piprek, Y. Park, "Origin of efficiency droop in GaN-based light-emitting diodes," Appl. Phys. Lett. 91, 183507 (2007).

J. Xie, X. Ni, Q. Fan, R. Shimada, U. Ozgur, H. Morkoc, "On the efficiency droop in InGaN multiple quantum well blue light emitting diodes and its reduction with p-doped quantum well barriers," Appl. Phys. Lett. 93, 121107 (2008).

IEEE J. Quantum Electron.

A. Sugimura, "Band-to-band Auger effect in long wavelength multinary III-V semiconductor lasers," IEEE J. Quantum Electron. QE-18, 352-363 (1982).

I. H. Brown, P. Blood, P. M. Smowton, J. D. Thomson, S. M. Olaizola, A. M. Fox, P. J. Parbrook, W. W. Chow, "Time evolution of the screening of piezoelectric fields in InGaN quantum wells," IEEE J. Quantum Electron. 42, 1202-1208 (2006).

IEEE J. Sel. Topics Quantum Electron.

N. Tansu, J. Y. Yeh, L. J. Mawst, "High-performance 1200-nm InGaAs and 1300-nm InGaAsN quantum-well lasers by metalorganic chemical vapor deposition," IEEE J. Sel. Topics Quantum Electron. 9, 1220-1227 (2003).

S. R. Bank, L. L. Goddard, M. A. Wistey, H. B. Yuen, J. S. Harris, "On the temperature sensitivity of 1.5-μm GaInNAsSb lasers," IEEE J. Sel. Topics Quantum Electron. 11, 1089-1098 (2005).

M. H. Crawford, "LEDs for solid-state lighting: Performance chanllenges and recent advances," IEEE J. Sel. Topics Quantum Electron. 15, 1028-1040 (2009).

IEEE Photon. J.

X. H. Li, R. Song, Y. K. Ee, P. Kumnorkaew, J. F. Gilchrist, N. Tansu, "Light extraction efficiency and radiation patterns of III-nitride light-emitting diodes with colloidal microlens arrays with various aspect ratios," IEEE Photon. J. 3, 489-499 (2011).

J. Appl. Phys.

I. Vurgaftman, J. R. Meyer, L. R. Ram-Mohan, "Band parameters for III-V compound semiconductors and their alloys," J. Appl. Phys. 89, 5815-5875 (2001).

H. Zhao, R. A. Arif, N. Tansu, "Self consistent gain analysis of type-II ‘W’ InGaN-GaNAs quantum well lasers," J. Appl. Phys. 104, 043104 (2008).

J. Display Technol.

J. Phys.: Condens. Matter

K. Laaksonen, H.-P. Komsa, E. Arola, T. T. Rantala, R. M. Nieminen, "Computational study of GaAs1-xNx and GaN1-yAsy alloys and arsenic impurities in GaN," J. Phys.: Condens. Matter 18, 10097-10114 (2006).

J. Vacuum Sci. Technol. B: Microelectron. and Nanometer Structures

S. F. Chichibu, T. Azuhata, M. Sugiyama, T. Kitamura, Y. Ishida, H. Okumura, H. Nakanishi, T. Sota, T. Mukai, "Optical and structural studies in InGaN quantum well structure laser diodes," J. Vacuum Sci. Technol. B: Microelectron. and Nanometer Structures 19, 2177-2183 (2001).

Opt. Express

Phys. Rev. B, Condens. Matter

M. Suzuki, T. Uenoyama, "First-principles calculations of effective-mass parameters of AlN and GaN," Phys. Rev. B, Condens. Matter 52, 8132-8139 (1995).

J. Wu, W. Walukiewicz, K. M. Yu, J. D. Denlinger, W. Shan, J. W. Ager, IIIA. Kimura, H. F. Tang, T. F. Kuech, "Valence band hybridization in N-rich GaN1-xAsx alloys," Phys. Rev. B, Condens. Matter 70, 115214 (2004).

V. Fiorentini, A. Baldereschi, "Dielectric scaling of the self-energy scissor operator in semiconductors and insulators," Phys. Rev. B, Condens. Matter 51, 17196-17198 (1995).

G. Kresse, J. Furthmuller, "Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set," Phys. Rev. B, Condens. Matter 54, 11169-11186 (1996).

P. D. C. King, T. D. Veal, F. Fuchs, Ch. Y. Wang, D. J. Payne, A. Bourlange, H. Zhang, G. R. Bell, V. Cimalla, O. Ambacher, R. G. Egdell, F. Bechstedt, C. F. McConville, "Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In2O3," Phys. Rev. B, Condens. Matter 79, 205211 (2009).

T. Mattila, A. Zunger, "P-P and As-As isovalent impurity pairs in GaN: Interaction of deep t2 levels," Phys. Rev. B, Condens. Matter 59, 9943-9953 (1999).

Phys. Rev. Lett.

M. Shishkin, M. Marsman, G. Kresse, "Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections," Phys. Rev. Lett. 99, 246403 (2007).

A. Lindsay, E. P. O'Reilly, "Unification of the band anticrossing and cluster-state models of dilute nitride semiconductor alloys," Phys. Rev. Lett. 93, 196402 (2004).

Physica

Y. P. Varshni, "Temperature dependence of the energy gap in semiconductors," Physica 34, 149-154 (1967).

Physica Status Solidi (c)

K. M. Yu, S. V. Novikov, R. Broesler, C. R. Staddon, M. Hawkridge, Z. Liliental-Weber, I. Demchenko, J. D. Denlinger, V. M. Kao, F. Luckert, R. W. Martin, W. Walukiewicz, C. T. Foxon, "Non-equilibrium GaNAs alloys with band gap ranging from 0.8–3.4 eV," Physica Status Solidi (c) 7, 1847-1849 (2010).

Science

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