Abstract

First principles hybrid functional calculations have been carried out to study electronic properties of GaAs with Bi alloying effects. It is found that the doping of Bi into GaAs reduces the bandgap due to the intraband level repulsions between Bi induced states and host states, and the Bi-related impurity states originate from the hybridization of Bi-6p and its nearest As-4p orbitals. With the increase of Bi concentration in GaAs, the bandgap decreases monotonously. The calculated optical properties of the undoped and Bi-doped GaAs are similar except the shift toward lower energy of absorption edge and main absorption peaks with Bi doping. These results suggest a promising application of GaBixAs1-x alloy as semiconductor saturable absorber in Q-switched or mode-locked laser.

© 2012 OSA

Full Article  |  PDF Article

References

  • View by:
  • |
  • |
  • |

  1. Z. Zhang, L. Qian, D. Fan, and X. Deng, “Gallium arsenide: a new material to accomplish passively mode-locked Nd:YAG laser,” Appl. Phys. Lett. 60(4), 419–421 (1992).
    [CrossRef]
  2. T. T. Kajava and A. L. Gaeta, “Q-switching of a diode-pumped Nd:YAG laser with GaAs,” Opt. Lett. 21(16), 1244–1246 (1996).
    [CrossRef] [PubMed]
  3. J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
    [CrossRef]
  4. J. Gu, F. Zhou, W. Xie, S. C. Tam, and Y. L. Lam, “Passive Q-switching of a diode pumped Nd:YAG with GaAs output coupler,” Opt. Commun. 165(4-6), 245–249 (1999).
    [CrossRef]
  5. A. L. Smirl, G. C. Valley, K. M. Bohnert, and T. F. Boggess, “Picosecond photorefractive and free-carrier transient energy transfer in GaAs at 1μm,” IEEE J. Quantum Electron. 24(2), 289–303 (1988).
    [CrossRef]
  6. T. Tiedje, E. C. Young, and A. Mascarenhas, “Growth and properties of the dilute bismide semiconductor GaAs1−xBix a complementary alloy to the dilute nitrides,” Int. J. Nanotechnol. 5, 963–983 (2008).
    [CrossRef]
  7. A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
    [CrossRef]
  8. K. Oe and H. Okamato, “New semiconductor alloy GaAs1-xBix grown by metal organic vapor phase epitaxy,” Jpn. J. Appl. Phys. 37(Part 2, No. 11A), L1283–L1285 (1998).
    [CrossRef]
  9. K. Oe, “Characteristics of semiconductor alloy GaAs1-xBix,” Jpn. J. Appl. Phys. 41(Part 1, No. 5A), 2801–2806 (2002).
    [CrossRef]
  10. B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
    [CrossRef] [PubMed]
  11. S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
    [CrossRef]
  12. S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
    [CrossRef]
  13. E. C. Young, M. B. Whitwick, T. Tiedje, and D. A. Beaton, “Bismuth incorporation in GaAs1−xBix grown by molecular beam epitaxy with in-situ light scattering,” Phys. Status Solidi 4(5c), 1707–1710 (2007).
    [CrossRef]
  14. K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
    [CrossRef]
  15. A. Janoti, S. H. We, and S. B. Zhang, “Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs,” Phys. Rev. B 65(11), 115203 (2002).
    [CrossRef]
  16. Y. Zhang, Z. Mascarenhas, and L. W. Wang, “Similar and dissimilar aspects of III-V semiconductors containing Bi versus N,” Phys. Rev. B 71(15), 155201 (2005).
    [CrossRef]
  17. D. Madouri, A. Boukra, A. Zaoui, and M. Ferhat, “Bismuth alloying in GaAs: a first-principles study,” Comput. Mater. Sci. 43(4), 818–822 (2008).
    [CrossRef]
  18. A. Abdiche, H. Abid, R. Riane, and A. Bouaza, “Structural and electronic properties of zinc blend GaAs1-xBix solid solutions,” Physica B 405(9), 2311–2316 (2010).
    [CrossRef]
  19. J. Hwang and J. D. Phillips, “Band structure of strain-balanced GaAsBi/GaAsN superlattices on GaAs,” Phys. Rev. B 83(19), 195327 (2011).
    [CrossRef]
  20. J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, “Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional,” J. Chem. Phys. 123(17), 174101 (2005).
    [CrossRef] [PubMed]
  21. G. Kresse and J. Furthmüller, “Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set,” Comput. Mater. Sci. 6(1), 15–50 (1996).
    [CrossRef]
  22. G. Kresse and J. Furthmüller, “Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set,” Phys. Rev. B Condens. Matter 54(16), 11169–11186 (1996).
    [CrossRef] [PubMed]
  23. P. E. Blöchl, “Projector augmented-wave method,” Phys. Rev. B Condens. Matter 50(24), 17953–17979 (1994).
    [CrossRef] [PubMed]
  24. G. Kresse and D. Joubert, “From ultrasoft pseudopotentials to the projector augmented-wave method,” Phys. Rev. B 59(3), 1758–1775 (1999).
    [CrossRef]
  25. J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized gradient approximation made simple,” Phys. Rev. Lett. 77(18), 3865–3868 (1996).
    [CrossRef] [PubMed]
  26. J. Heyd, G. E. Scuseria, and M. Ernzerhof, “Hybrid functionals based on a screened Coulomb potential,” J. Chem. Phys. 118(18), 8207–8219 (2003).
    [CrossRef]
  27. A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, “Influence of the exchange screening parameter on the performance of screened hybrid functionals,” J. Chem. Phys. 125(22), 224106 (2006).
    [CrossRef] [PubMed]
  28. D. C. Li, M. Yang, Y. Q. Cai, S. Z. Zhao, and Y. P. Feng, “First principles study of the ternary complex model of EL2 defect in GaAs saturable absorber,” Opt. Express 20(6), 6258–6266 (2012).
    [CrossRef] [PubMed]

2012 (1)

2011 (2)

A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
[CrossRef]

J. Hwang and J. D. Phillips, “Band structure of strain-balanced GaAsBi/GaAsN superlattices on GaAs,” Phys. Rev. B 83(19), 195327 (2011).
[CrossRef]

2010 (1)

A. Abdiche, H. Abid, R. Riane, and A. Bouaza, “Structural and electronic properties of zinc blend GaAs1-xBix solid solutions,” Physica B 405(9), 2311–2316 (2010).
[CrossRef]

2008 (2)

D. Madouri, A. Boukra, A. Zaoui, and M. Ferhat, “Bismuth alloying in GaAs: a first-principles study,” Comput. Mater. Sci. 43(4), 818–822 (2008).
[CrossRef]

T. Tiedje, E. C. Young, and A. Mascarenhas, “Growth and properties of the dilute bismide semiconductor GaAs1−xBix a complementary alloy to the dilute nitrides,” Int. J. Nanotechnol. 5, 963–983 (2008).
[CrossRef]

2007 (2)

E. C. Young, M. B. Whitwick, T. Tiedje, and D. A. Beaton, “Bismuth incorporation in GaAs1−xBix grown by molecular beam epitaxy with in-situ light scattering,” Phys. Status Solidi 4(5c), 1707–1710 (2007).
[CrossRef]

K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
[CrossRef]

2006 (2)

B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
[CrossRef] [PubMed]

A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, “Influence of the exchange screening parameter on the performance of screened hybrid functionals,” J. Chem. Phys. 125(22), 224106 (2006).
[CrossRef] [PubMed]

2005 (2)

Y. Zhang, Z. Mascarenhas, and L. W. Wang, “Similar and dissimilar aspects of III-V semiconductors containing Bi versus N,” Phys. Rev. B 71(15), 155201 (2005).
[CrossRef]

J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, “Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional,” J. Chem. Phys. 123(17), 174101 (2005).
[CrossRef] [PubMed]

2003 (3)

S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
[CrossRef]

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

J. Heyd, G. E. Scuseria, and M. Ernzerhof, “Hybrid functionals based on a screened Coulomb potential,” J. Chem. Phys. 118(18), 8207–8219 (2003).
[CrossRef]

2002 (2)

A. Janoti, S. H. We, and S. B. Zhang, “Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs,” Phys. Rev. B 65(11), 115203 (2002).
[CrossRef]

K. Oe, “Characteristics of semiconductor alloy GaAs1-xBix,” Jpn. J. Appl. Phys. 41(Part 1, No. 5A), 2801–2806 (2002).
[CrossRef]

2001 (1)

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

1999 (2)

J. Gu, F. Zhou, W. Xie, S. C. Tam, and Y. L. Lam, “Passive Q-switching of a diode pumped Nd:YAG with GaAs output coupler,” Opt. Commun. 165(4-6), 245–249 (1999).
[CrossRef]

G. Kresse and D. Joubert, “From ultrasoft pseudopotentials to the projector augmented-wave method,” Phys. Rev. B 59(3), 1758–1775 (1999).
[CrossRef]

1998 (1)

K. Oe and H. Okamato, “New semiconductor alloy GaAs1-xBix grown by metal organic vapor phase epitaxy,” Jpn. J. Appl. Phys. 37(Part 2, No. 11A), L1283–L1285 (1998).
[CrossRef]

1996 (4)

T. T. Kajava and A. L. Gaeta, “Q-switching of a diode-pumped Nd:YAG laser with GaAs,” Opt. Lett. 21(16), 1244–1246 (1996).
[CrossRef] [PubMed]

G. Kresse and J. Furthmüller, “Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set,” Comput. Mater. Sci. 6(1), 15–50 (1996).
[CrossRef]

G. Kresse and J. Furthmüller, “Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set,” Phys. Rev. B Condens. Matter 54(16), 11169–11186 (1996).
[CrossRef] [PubMed]

J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized gradient approximation made simple,” Phys. Rev. Lett. 77(18), 3865–3868 (1996).
[CrossRef] [PubMed]

1994 (1)

P. E. Blöchl, “Projector augmented-wave method,” Phys. Rev. B Condens. Matter 50(24), 17953–17979 (1994).
[CrossRef] [PubMed]

1992 (1)

Z. Zhang, L. Qian, D. Fan, and X. Deng, “Gallium arsenide: a new material to accomplish passively mode-locked Nd:YAG laser,” Appl. Phys. Lett. 60(4), 419–421 (1992).
[CrossRef]

1988 (1)

A. L. Smirl, G. C. Valley, K. M. Bohnert, and T. F. Boggess, “Picosecond photorefractive and free-carrier transient energy transfer in GaAs at 1μm,” IEEE J. Quantum Electron. 24(2), 289–303 (1988).
[CrossRef]

Abdiche, A.

A. Abdiche, H. Abid, R. Riane, and A. Bouaza, “Structural and electronic properties of zinc blend GaAs1-xBix solid solutions,” Physica B 405(9), 2311–2316 (2010).
[CrossRef]

Abid, H.

A. Abdiche, H. Abid, R. Riane, and A. Bouaza, “Structural and electronic properties of zinc blend GaAs1-xBix solid solutions,” Physica B 405(9), 2311–2316 (2010).
[CrossRef]

Adamcyk, M.

S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
[CrossRef]

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

Alberi, K.

K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
[CrossRef]

Bastiman, F.

A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
[CrossRef]

Beaton, D. A.

E. C. Young, M. B. Whitwick, T. Tiedje, and D. A. Beaton, “Bismuth incorporation in GaAs1−xBix grown by molecular beam epitaxy with in-situ light scattering,” Phys. Status Solidi 4(5c), 1707–1710 (2007).
[CrossRef]

Bertulis, K.

K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
[CrossRef]

Blöchl, P. E.

P. E. Blöchl, “Projector augmented-wave method,” Phys. Rev. B Condens. Matter 50(24), 17953–17979 (1994).
[CrossRef] [PubMed]

Boggess, T. F.

A. L. Smirl, G. C. Valley, K. M. Bohnert, and T. F. Boggess, “Picosecond photorefractive and free-carrier transient energy transfer in GaAs at 1μm,” IEEE J. Quantum Electron. 24(2), 289–303 (1988).
[CrossRef]

Bohnert, K. M.

A. L. Smirl, G. C. Valley, K. M. Bohnert, and T. F. Boggess, “Picosecond photorefractive and free-carrier transient energy transfer in GaAs at 1μm,” IEEE J. Quantum Electron. 24(2), 289–303 (1988).
[CrossRef]

Bouaza, A.

A. Abdiche, H. Abid, R. Riane, and A. Bouaza, “Structural and electronic properties of zinc blend GaAs1-xBix solid solutions,” Physica B 405(9), 2311–2316 (2010).
[CrossRef]

Boukra, A.

D. Madouri, A. Boukra, A. Zaoui, and M. Ferhat, “Bismuth alloying in GaAs: a first-principles study,” Comput. Mater. Sci. 43(4), 818–822 (2008).
[CrossRef]

Burke, K.

J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized gradient approximation made simple,” Phys. Rev. Lett. 77(18), 3865–3868 (1996).
[CrossRef] [PubMed]

Cai, Y. Q.

Cheng, Z.

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

David, J. P. R.

A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
[CrossRef]

Deng, X.

Z. Zhang, L. Qian, D. Fan, and X. Deng, “Gallium arsenide: a new material to accomplish passively mode-locked Nd:YAG laser,” Appl. Phys. Lett. 60(4), 419–421 (1992).
[CrossRef]

Dubon, O. D.

K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
[CrossRef]

Ernzerhof, M.

J. Heyd, G. E. Scuseria, and M. Ernzerhof, “Hybrid functionals based on a screened Coulomb potential,” J. Chem. Phys. 118(18), 8207–8219 (2003).
[CrossRef]

J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized gradient approximation made simple,” Phys. Rev. Lett. 77(18), 3865–3868 (1996).
[CrossRef] [PubMed]

Fan, D.

Z. Zhang, L. Qian, D. Fan, and X. Deng, “Gallium arsenide: a new material to accomplish passively mode-locked Nd:YAG laser,” Appl. Phys. Lett. 60(4), 419–421 (1992).
[CrossRef]

Feng, Y. P.

Ferhat, M.

D. Madouri, A. Boukra, A. Zaoui, and M. Ferhat, “Bismuth alloying in GaAs: a first-principles study,” Comput. Mater. Sci. 43(4), 818–822 (2008).
[CrossRef]

Fluegel, B.

B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
[CrossRef] [PubMed]

Francoeur, S.

B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
[CrossRef] [PubMed]

S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
[CrossRef]

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

Furthmüller, J.

G. Kresse and J. Furthmüller, “Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set,” Comput. Mater. Sci. 6(1), 15–50 (1996).
[CrossRef]

G. Kresse and J. Furthmüller, “Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set,” Phys. Rev. B Condens. Matter 54(16), 11169–11186 (1996).
[CrossRef] [PubMed]

Gaeta, A. L.

Gu, J.

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

J. Gu, F. Zhou, W. Xie, S. C. Tam, and Y. L. Lam, “Passive Q-switching of a diode pumped Nd:YAG with GaAs output coupler,” Opt. Commun. 165(4-6), 245–249 (1999).
[CrossRef]

Heyd, J.

J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, “Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional,” J. Chem. Phys. 123(17), 174101 (2005).
[CrossRef] [PubMed]

J. Heyd, G. E. Scuseria, and M. Ernzerhof, “Hybrid functionals based on a screened Coulomb potential,” J. Chem. Phys. 118(18), 8207–8219 (2003).
[CrossRef]

Hunter, C. J.

A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
[CrossRef]

Hwang, J.

J. Hwang and J. D. Phillips, “Band structure of strain-balanced GaAsBi/GaAsN superlattices on GaAs,” Phys. Rev. B 83(19), 195327 (2011).
[CrossRef]

Izmaylov, A. F.

A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, “Influence of the exchange screening parameter on the performance of screened hybrid functionals,” J. Chem. Phys. 125(22), 224106 (2006).
[CrossRef] [PubMed]

Janoti, A.

A. Janoti, S. H. We, and S. B. Zhang, “Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs,” Phys. Rev. B 65(11), 115203 (2002).
[CrossRef]

Joubert, D.

G. Kresse and D. Joubert, “From ultrasoft pseudopotentials to the projector augmented-wave method,” Phys. Rev. B 59(3), 1758–1775 (1999).
[CrossRef]

Kajava, T. T.

Kresse, G.

G. Kresse and D. Joubert, “From ultrasoft pseudopotentials to the projector augmented-wave method,” Phys. Rev. B 59(3), 1758–1775 (1999).
[CrossRef]

G. Kresse and J. Furthmüller, “Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set,” Phys. Rev. B Condens. Matter 54(16), 11169–11186 (1996).
[CrossRef] [PubMed]

G. Kresse and J. Furthmüller, “Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set,” Comput. Mater. Sci. 6(1), 15–50 (1996).
[CrossRef]

Krotkus, A.

K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
[CrossRef]

Krukau, A. V.

A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, “Influence of the exchange screening parameter on the performance of screened hybrid functionals,” J. Chem. Phys. 125(22), 224106 (2006).
[CrossRef] [PubMed]

Lam, Y. L.

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

J. Gu, F. Zhou, W. Xie, S. C. Tam, and Y. L. Lam, “Passive Q-switching of a diode pumped Nd:YAG with GaAs output coupler,” Opt. Commun. 165(4-6), 245–249 (1999).
[CrossRef]

Li, D. C.

Lim, T. K.

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

Madouri, D.

D. Madouri, A. Boukra, A. Zaoui, and M. Ferhat, “Bismuth alloying in GaAs: a first-principles study,” Comput. Mater. Sci. 43(4), 818–822 (2008).
[CrossRef]

Martin, R. L.

J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, “Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional,” J. Chem. Phys. 123(17), 174101 (2005).
[CrossRef] [PubMed]

Mascarenhas, A.

T. Tiedje, E. C. Young, and A. Mascarenhas, “Growth and properties of the dilute bismide semiconductor GaAs1−xBix a complementary alloy to the dilute nitrides,” Int. J. Nanotechnol. 5, 963–983 (2008).
[CrossRef]

B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
[CrossRef] [PubMed]

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
[CrossRef]

Mascarenhas, Z.

Y. Zhang, Z. Mascarenhas, and L. W. Wang, “Similar and dissimilar aspects of III-V semiconductors containing Bi versus N,” Phys. Rev. B 71(15), 155201 (2005).
[CrossRef]

Mohmad, A. R.

A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
[CrossRef]

Ng, J. S.

A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
[CrossRef]

Oe, K.

K. Oe, “Characteristics of semiconductor alloy GaAs1-xBix,” Jpn. J. Appl. Phys. 41(Part 1, No. 5A), 2801–2806 (2002).
[CrossRef]

K. Oe and H. Okamato, “New semiconductor alloy GaAs1-xBix grown by metal organic vapor phase epitaxy,” Jpn. J. Appl. Phys. 37(Part 2, No. 11A), L1283–L1285 (1998).
[CrossRef]

Okamato, H.

K. Oe and H. Okamato, “New semiconductor alloy GaAs1-xBix grown by metal organic vapor phase epitaxy,” Jpn. J. Appl. Phys. 37(Part 2, No. 11A), L1283–L1285 (1998).
[CrossRef]

Peralta, J. E.

J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, “Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional,” J. Chem. Phys. 123(17), 174101 (2005).
[CrossRef] [PubMed]

Perdew, J. P.

J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized gradient approximation made simple,” Phys. Rev. Lett. 77(18), 3865–3868 (1996).
[CrossRef] [PubMed]

Phillips, J. D.

J. Hwang and J. D. Phillips, “Band structure of strain-balanced GaAsBi/GaAsN superlattices on GaAs,” Phys. Rev. B 83(19), 195327 (2011).
[CrossRef]

Qian, L.

Z. Zhang, L. Qian, D. Fan, and X. Deng, “Gallium arsenide: a new material to accomplish passively mode-locked Nd:YAG laser,” Appl. Phys. Lett. 60(4), 419–421 (1992).
[CrossRef]

Riane, R.

A. Abdiche, H. Abid, R. Riane, and A. Bouaza, “Structural and electronic properties of zinc blend GaAs1-xBix solid solutions,” Physica B 405(9), 2311–2316 (2010).
[CrossRef]

Schiettekatte, F.

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

Scuseria, G. E.

A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, “Influence of the exchange screening parameter on the performance of screened hybrid functionals,” J. Chem. Phys. 125(22), 224106 (2006).
[CrossRef] [PubMed]

J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, “Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional,” J. Chem. Phys. 123(17), 174101 (2005).
[CrossRef] [PubMed]

J. Heyd, G. E. Scuseria, and M. Ernzerhof, “Hybrid functionals based on a screened Coulomb potential,” J. Chem. Phys. 118(18), 8207–8219 (2003).
[CrossRef]

Seong, M. J.

S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
[CrossRef]

Smirl, A. L.

A. L. Smirl, G. C. Valley, K. M. Bohnert, and T. F. Boggess, “Picosecond photorefractive and free-carrier transient energy transfer in GaAs at 1μm,” IEEE J. Quantum Electron. 24(2), 289–303 (1988).
[CrossRef]

Sweeney, S. J.

A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
[CrossRef]

Tam, S. C.

J. Gu, F. Zhou, W. Xie, S. C. Tam, and Y. L. Lam, “Passive Q-switching of a diode pumped Nd:YAG with GaAs output coupler,” Opt. Commun. 165(4-6), 245–249 (1999).
[CrossRef]

Tam, S.-C.

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

Tiedje, T.

T. Tiedje, E. C. Young, and A. Mascarenhas, “Growth and properties of the dilute bismide semiconductor GaAs1−xBix a complementary alloy to the dilute nitrides,” Int. J. Nanotechnol. 5, 963–983 (2008).
[CrossRef]

E. C. Young, M. B. Whitwick, T. Tiedje, and D. A. Beaton, “Bismuth incorporation in GaAs1−xBix grown by molecular beam epitaxy with in-situ light scattering,” Phys. Status Solidi 4(5c), 1707–1710 (2007).
[CrossRef]

B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
[CrossRef] [PubMed]

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
[CrossRef]

Tixier, S.

B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
[CrossRef] [PubMed]

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
[CrossRef]

Valley, G. C.

A. L. Smirl, G. C. Valley, K. M. Bohnert, and T. F. Boggess, “Picosecond photorefractive and free-carrier transient energy transfer in GaAs at 1μm,” IEEE J. Quantum Electron. 24(2), 289–303 (1988).
[CrossRef]

Vydrov, O. A.

A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, “Influence of the exchange screening parameter on the performance of screened hybrid functionals,” J. Chem. Phys. 125(22), 224106 (2006).
[CrossRef] [PubMed]

Walukiewicz, W.

K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
[CrossRef]

Wan, K. T.

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

Wang, L. W.

Y. Zhang, Z. Mascarenhas, and L. W. Wang, “Similar and dissimilar aspects of III-V semiconductors containing Bi versus N,” Phys. Rev. B 71(15), 155201 (2005).
[CrossRef]

We, S. H.

A. Janoti, S. H. We, and S. B. Zhang, “Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs,” Phys. Rev. B 65(11), 115203 (2002).
[CrossRef]

Wei, P.

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

Whitwick, M. B.

E. C. Young, M. B. Whitwick, T. Tiedje, and D. A. Beaton, “Bismuth incorporation in GaAs1−xBix grown by molecular beam epitaxy with in-situ light scattering,” Phys. Status Solidi 4(5c), 1707–1710 (2007).
[CrossRef]

Xie, W.

J. Gu, F. Zhou, W. Xie, S. C. Tam, and Y. L. Lam, “Passive Q-switching of a diode pumped Nd:YAG with GaAs output coupler,” Opt. Commun. 165(4-6), 245–249 (1999).
[CrossRef]

Xu, D.

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

Yang, M.

Young, E. C.

T. Tiedje, E. C. Young, and A. Mascarenhas, “Growth and properties of the dilute bismide semiconductor GaAs1−xBix a complementary alloy to the dilute nitrides,” Int. J. Nanotechnol. 5, 963–983 (2008).
[CrossRef]

E. C. Young, M. B. Whitwick, T. Tiedje, and D. A. Beaton, “Bismuth incorporation in GaAs1−xBix grown by molecular beam epitaxy with in-situ light scattering,” Phys. Status Solidi 4(5c), 1707–1710 (2007).
[CrossRef]

B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
[CrossRef] [PubMed]

Yu, K. M.

K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
[CrossRef]

Zaoui, A.

D. Madouri, A. Boukra, A. Zaoui, and M. Ferhat, “Bismuth alloying in GaAs: a first-principles study,” Comput. Mater. Sci. 43(4), 818–822 (2008).
[CrossRef]

Zhang, S. B.

A. Janoti, S. H. We, and S. B. Zhang, “Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs,” Phys. Rev. B 65(11), 115203 (2002).
[CrossRef]

Zhang, Y.

Y. Zhang, Z. Mascarenhas, and L. W. Wang, “Similar and dissimilar aspects of III-V semiconductors containing Bi versus N,” Phys. Rev. B 71(15), 155201 (2005).
[CrossRef]

Zhang, Z.

Z. Zhang, L. Qian, D. Fan, and X. Deng, “Gallium arsenide: a new material to accomplish passively mode-locked Nd:YAG laser,” Appl. Phys. Lett. 60(4), 419–421 (1992).
[CrossRef]

Zhao, S. Z.

Zhou, F.

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

J. Gu, F. Zhou, W. Xie, S. C. Tam, and Y. L. Lam, “Passive Q-switching of a diode pumped Nd:YAG with GaAs output coupler,” Opt. Commun. 165(4-6), 245–249 (1999).
[CrossRef]

Appl. Phys. Lett. (5)

Z. Zhang, L. Qian, D. Fan, and X. Deng, “Gallium arsenide: a new material to accomplish passively mode-locked Nd:YAG laser,” Appl. Phys. Lett. 60(4), 419–421 (1992).
[CrossRef]

A. R. Mohmad, F. Bastiman, C. J. Hunter, J. S. Ng, S. J. Sweeney, and J. P. R. David, “The effect of Bi composition to the optical quality of GaAs1−xBix,” Appl. Phys. Lett. 99(4), 042107–042109 (2011).
[CrossRef]

S. Francoeur, M. J. Seong, A. Mascarenhas, S. Tixier, M. Adamcyk, and T. Tiedje, “Band gap of GaAs1−xBix, 0<x<3.6%,” Appl. Phys. Lett. 82(22), 3874–3876 (2003).
[CrossRef]

S. Tixier, M. Adamcyk, T. Tiedje, S. Francoeur, A. Mascarenhas, P. Wei, and F. Schiettekatte, “Molecular beam epitaxy growth of GaAs1−xBix,” Appl. Phys. Lett. 82(14), 2245–2247 (2003).
[CrossRef]

K. Alberi, O. D. Dubon, W. Walukiewicz, K. M. Yu, K. Bertulis, and A. Krotkus, “Valence band anticrossing in GaBixAs1−x,” Appl. Phys. Lett. 91(5), 051909–051911 (2007).
[CrossRef]

Comput. Mater. Sci. (2)

D. Madouri, A. Boukra, A. Zaoui, and M. Ferhat, “Bismuth alloying in GaAs: a first-principles study,” Comput. Mater. Sci. 43(4), 818–822 (2008).
[CrossRef]

G. Kresse and J. Furthmüller, “Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set,” Comput. Mater. Sci. 6(1), 15–50 (1996).
[CrossRef]

IEEE J. Quantum Electron. (1)

A. L. Smirl, G. C. Valley, K. M. Bohnert, and T. F. Boggess, “Picosecond photorefractive and free-carrier transient energy transfer in GaAs at 1μm,” IEEE J. Quantum Electron. 24(2), 289–303 (1988).
[CrossRef]

Int. J. Nanotechnol. (1)

T. Tiedje, E. C. Young, and A. Mascarenhas, “Growth and properties of the dilute bismide semiconductor GaAs1−xBix a complementary alloy to the dilute nitrides,” Int. J. Nanotechnol. 5, 963–983 (2008).
[CrossRef]

J. Chem. Phys. (3)

J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, “Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional,” J. Chem. Phys. 123(17), 174101 (2005).
[CrossRef] [PubMed]

J. Heyd, G. E. Scuseria, and M. Ernzerhof, “Hybrid functionals based on a screened Coulomb potential,” J. Chem. Phys. 118(18), 8207–8219 (2003).
[CrossRef]

A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, “Influence of the exchange screening parameter on the performance of screened hybrid functionals,” J. Chem. Phys. 125(22), 224106 (2006).
[CrossRef] [PubMed]

Jpn. J. Appl. Phys. (2)

K. Oe and H. Okamato, “New semiconductor alloy GaAs1-xBix grown by metal organic vapor phase epitaxy,” Jpn. J. Appl. Phys. 37(Part 2, No. 11A), L1283–L1285 (1998).
[CrossRef]

K. Oe, “Characteristics of semiconductor alloy GaAs1-xBix,” Jpn. J. Appl. Phys. 41(Part 1, No. 5A), 2801–2806 (2002).
[CrossRef]

Opt. Commun. (1)

J. Gu, F. Zhou, W. Xie, S. C. Tam, and Y. L. Lam, “Passive Q-switching of a diode pumped Nd:YAG with GaAs output coupler,” Opt. Commun. 165(4-6), 245–249 (1999).
[CrossRef]

Opt. Express (1)

Opt. Lasers Eng. (1)

J. Gu, F. Zhou, K. T. Wan, T. K. Lim, S.-C. Tam, Y. L. Lam, D. Xu, and Z. Cheng, “Q-switching of a diode-pumped Nd:YVO4 laser with GaAs nonlinear output coupler,” Opt. Lasers Eng. 35(5), 299–307 (2001).
[CrossRef]

Opt. Lett. (1)

Phys. Rev. B (4)

A. Janoti, S. H. We, and S. B. Zhang, “Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs,” Phys. Rev. B 65(11), 115203 (2002).
[CrossRef]

Y. Zhang, Z. Mascarenhas, and L. W. Wang, “Similar and dissimilar aspects of III-V semiconductors containing Bi versus N,” Phys. Rev. B 71(15), 155201 (2005).
[CrossRef]

G. Kresse and D. Joubert, “From ultrasoft pseudopotentials to the projector augmented-wave method,” Phys. Rev. B 59(3), 1758–1775 (1999).
[CrossRef]

J. Hwang and J. D. Phillips, “Band structure of strain-balanced GaAsBi/GaAsN superlattices on GaAs,” Phys. Rev. B 83(19), 195327 (2011).
[CrossRef]

Phys. Rev. B Condens. Matter (2)

G. Kresse and J. Furthmüller, “Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set,” Phys. Rev. B Condens. Matter 54(16), 11169–11186 (1996).
[CrossRef] [PubMed]

P. E. Blöchl, “Projector augmented-wave method,” Phys. Rev. B Condens. Matter 50(24), 17953–17979 (1994).
[CrossRef] [PubMed]

Phys. Rev. Lett. (2)

J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized gradient approximation made simple,” Phys. Rev. Lett. 77(18), 3865–3868 (1996).
[CrossRef] [PubMed]

B. Fluegel, S. Francoeur, A. Mascarenhas, S. Tixier, E. C. Young, and T. Tiedje, “Giant spin-orbit bowing in GaAs1-xBix.,” Phys. Rev. Lett. 97(6), 067205–067208 (2006).
[CrossRef] [PubMed]

Phys. Status Solidi (1)

E. C. Young, M. B. Whitwick, T. Tiedje, and D. A. Beaton, “Bismuth incorporation in GaAs1−xBix grown by molecular beam epitaxy with in-situ light scattering,” Phys. Status Solidi 4(5c), 1707–1710 (2007).
[CrossRef]

Physica B (1)

A. Abdiche, H. Abid, R. Riane, and A. Bouaza, “Structural and electronic properties of zinc blend GaAs1-xBix solid solutions,” Physica B 405(9), 2311–2316 (2010).
[CrossRef]

Cited By

OSA participates in CrossRef's Cited-By Linking service. Citing articles from OSA journals and other participating publishers are listed here.

Alert me when this article is cited.


Figures (7)

Fig. 1
Fig. 1

The band structures and the total DOS of GaBi.

Fig. 2
Fig. 2

The band structures and the total DOS of GaBixAs1-x (x = 3.125%).

Fig. 3
Fig. 3

Density of states of GaAs and GaBixAs1-x. (a). Total DOS of GaAs; (b). Total DOS of GaBixAs1-x; (c). LDOS of the Bi atom.

Fig. 4
Fig. 4

The band decomposed charge density of (a) defect band D1, (b) defect band D2, and (c) defect band D3, isosurfaces correspond to 0.04 e3.

Fig. 5
Fig. 5

The band structure of GaBixAs1-x. (a). x = 1/8; (b). x = 1/12; (c). x = 1/16.

Fig. 6
Fig. 6

The bandgap of GaBixAs1-x versus Bi concentration x.

Fig. 7
Fig. 7

The absorption coefficients of GaAs and GaBixAs1-x.

Metrics