Abstract

Theoretical estimates are presented in this paper for the composition-dependent direct bandgap of bulk unstrained CSiGeSn. Interpolation between the corresponding bandgaps of elemental C, Si, Ge and Sn at their Γ, L, Δ, and X conduction band minima showed that each of the binary alloys CSn, SiSn and GeSn had a range of direct-gap compositions. Those ranges were plotted on a quaternary composition chart in order to define the boundaries of CSiGeSn composition space within which the alloy is “truly direct.” With the CSiGeSn cubic lattice parameter in the range of 0.576 nm to 0.649 nm, the predicted direct gaps ranged from 1.50 eV down to −0.41 eV. The boundaries of this space shift towards lower Sn content when bowing of the direct and indirect gaps is taken into account.

© 2014 Optical Society of America

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    [CrossRef]
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    [CrossRef] [PubMed]
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    [CrossRef]
  6. A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
    [CrossRef]
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    [CrossRef]
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    [CrossRef]
  9. P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
    [CrossRef]

2013 (1)

2012 (1)

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

2010 (1)

A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
[CrossRef]

2007 (1)

P. Moontragoon, Z. Ikonic, and P. Harrison, “Band structure calculations of Si-Ge-Sn alloys: achieving direct band gap materials,” Semicond. Sci. Technol.22(7), 742–748 (2007).
[CrossRef]

2006 (1)

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

1991 (1)

R. A. Soref and C. H. Perry, “Predicted bandgap of the new semiconductor SiGeSn,” J. Appl. Phys.69(1), 539–541 (1991).
[CrossRef]

1990 (1)

M. R. Salehpour and S. Satpathy, “Comparison of electron bands of hexagonal and cubic diamond,” Phys. Rev. B Condens. Matter41(5), 3048–3052 (1990).
[CrossRef] [PubMed]

Arguirov, T.

Birdwell, A. G.

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

Burinprakhon, T.

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

Canonico, M.

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

Cook, C. S.

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

D’Costa, V. R.

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

Hao, A.

A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
[CrossRef]

Harrison, P.

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

P. Moontragoon, Z. Ikonic, and P. Harrison, “Band structure calculations of Si-Ge-Sn alloys: achieving direct band gap materials,” Semicond. Sci. Technol.22(7), 742–748 (2007).
[CrossRef]

Ikonic, Z.

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

P. Moontragoon, Z. Ikonic, and P. Harrison, “Band structure calculations of Si-Ge-Sn alloys: achieving direct band gap materials,” Semicond. Sci. Technol.22(7), 742–748 (2007).
[CrossRef]

Kasper, E.

Kittler, M.

Kouvetakis, J.

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

Littler, C. L.

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

Liu, R.

A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
[CrossRef]

Liu, X.

A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
[CrossRef]

Maensiri, S.

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

Menendez, J.

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

Moontragoon, P.

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

P. Moontragoon, Z. Ikonic, and P. Harrison, “Band structure calculations of Si-Ge-Sn alloys: achieving direct band gap materials,” Semicond. Sci. Technol.22(7), 742–748 (2007).
[CrossRef]

Oehme, M.

Pengpit, P.

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

Perry, C. H.

R. A. Soref and C. H. Perry, “Predicted bandgap of the new semiconductor SiGeSn,” J. Appl. Phys.69(1), 539–541 (1991).
[CrossRef]

Salehpour, M. R.

M. R. Salehpour and S. Satpathy, “Comparison of electron bands of hexagonal and cubic diamond,” Phys. Rev. B Condens. Matter41(5), 3048–3052 (1990).
[CrossRef] [PubMed]

Satpathy, S.

M. R. Salehpour and S. Satpathy, “Comparison of electron bands of hexagonal and cubic diamond,” Phys. Rev. B Condens. Matter41(5), 3048–3052 (1990).
[CrossRef] [PubMed]

Soref, R. A.

R. A. Soref and C. H. Perry, “Predicted bandgap of the new semiconductor SiGeSn,” J. Appl. Phys.69(1), 539–541 (1991).
[CrossRef]

Vukmirovic, N.

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

Wang, X.

A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
[CrossRef]

Yang, X.

A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
[CrossRef]

Zhu, Y.

A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
[CrossRef]

Zollner, S.

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

J. Appl. Phys. (2)

R. A. Soref and C. H. Perry, “Predicted bandgap of the new semiconductor SiGeSn,” J. Appl. Phys.69(1), 539–541 (1991).
[CrossRef]

A. Hao, X. Yang, X. Wang, Y. Zhu, X. Liu, and R. Liu, “First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under pressure,” J. Appl. Phys.108(6), 063531 (2010).
[CrossRef]

J. Non-Cryst. Solids (1)

P. Moontragoon, P. Pengpit, T. Burinprakhon, S. Maensiri, N. Vukmirovic, Z. Ikonic, and P. Harrison, “Electronic properties calculation of Ge1-x-ySixSny ternary alloy and nanostructure,” J. Non-Cryst. Solids358(17), 2096–2098 (2012).
[CrossRef]

Photon. Res. (1)

Phys. Rev. B (1)

V. R. D’Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menendez, “Optical critical points of thin-film Ge1-ySny alloys: A comparative Ge1-ySny/Ge1-xSix study,” Phys. Rev. B73(12), 125207 (2006).
[CrossRef]

Phys. Rev. B Condens. Matter (1)

M. R. Salehpour and S. Satpathy, “Comparison of electron bands of hexagonal and cubic diamond,” Phys. Rev. B Condens. Matter41(5), 3048–3052 (1990).
[CrossRef] [PubMed]

Semicond. Sci. Technol. (1)

P. Moontragoon, Z. Ikonic, and P. Harrison, “Band structure calculations of Si-Ge-Sn alloys: achieving direct band gap materials,” Semicond. Sci. Technol.22(7), 742–748 (2007).
[CrossRef]

Other (2)

O. Madelung, Semiconductors: Data Handbook, 3rd Edition (Springer Verlag, 2004).

Ioffe Physico-Technical Institute, Electronic Archive, Physical Properties of Semiconductors, http://www.ioffe.ru/SVA/NSM/Semicond/index.html

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