Nonlinear structure-composition relationships in the Ge1-ySny/Si(100) (y<0.15) system

Beeler, R.; Roucka, R.; Chizmeshya, A. V. G.; Kouvetakis, J.; Menéndez, J.

doi:10.1103/PhysRevB.84.035204

Title: Nonlinear structure-composition relationships in the Ge_1-ySn_y/Si(100) (y<0.15) system

Abstract

The compositional dependence of the cubic lattice parameter in Ge_1-ySn_y alloys has been revisited. Large 1000-atom supercell ab initio simulations confirm earlier theoretical predictions that indicate a positive quadratic deviation from Vegard's law, albeit with a somewhat smaller bowing coefficient, θ = 0.047 Å, than found from 64-atom cell simulations (θ = 0.063 Å). On the other hand, measurements from an extensive set of alloy samples with compositions y < 0.15 reveal a negative deviation from Vegard's law. The discrepancy with earlier experimental data, which supported the theoretical results, is traced back to an unexpected compositional dependence of the residual strain after growth on Si substrates. The experimental bowing parameter for the relaxed lattice constant of the alloys is found to be θ = -0.066 Å. Possible reasons for the disagreement between theory and experiment are discussed in detail.

Authors:: Beeler, R.; Roucka, R.; Chizmeshya, A. V. G.; Kouvetakis, J.; Menéndez, J.

Publication Date:: Tue Jul 26 00:00:00 EDT 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1100383

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 84 Journal Issue: 3; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Beeler, R., Roucka, R., Chizmeshya, A. V. G., Kouvetakis, J., and Menéndez, J. Nonlinear structure-composition relationships in the Ge1-ySny/Si(100) (y<0.15) system.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevB.84.035204.

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                    Beeler, R., Roucka, R., Chizmeshya, A. V. G., Kouvetakis, J., & Menéndez, J. Nonlinear structure-composition relationships in the Ge1-ySny/Si(100) (y<0.15) system.  United States.  https://doi.org/10.1103/PhysRevB.84.035204

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                    Beeler, R., Roucka, R., Chizmeshya, A. V. G., Kouvetakis, J., and Menéndez, J. Tue .  
"Nonlinear structure-composition relationships in the Ge1-ySny/Si(100) (y<0.15) system".  United States.  https://doi.org/10.1103/PhysRevB.84.035204.

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@article{osti_1100383,

  title        = {Nonlinear structure-composition relationships in the Ge1-ySny/Si(100) (y<0.15) system},

  author       = {Beeler, R. and Roucka, R. and Chizmeshya, A. V. G. and Kouvetakis, J. and Menéndez, J.},

  abstractNote = {The compositional dependence of the cubic lattice parameter in Ge1-ySny alloys has been revisited. Large 1000-atom supercell ab initio simulations confirm earlier theoretical predictions that indicate a positive quadratic deviation from Vegard's law, albeit with a somewhat smaller bowing coefficient, θ = 0.047 Å, than found from 64-atom cell simulations (θ = 0.063 Å). On the other hand, measurements from an extensive set of alloy samples with compositions y < 0.15 reveal a negative deviation from Vegard's law. The discrepancy with earlier experimental data, which supported the theoretical results, is traced back to an unexpected compositional dependence of the residual strain after growth on Si substrates. The experimental bowing parameter for the relaxed lattice constant of the alloys is found to be θ = -0.066 Å. Possible reasons for the disagreement between theory and experiment are discussed in detail.},

  doi          = {10.1103/PhysRevB.84.035204},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 3,

  volume       = 84,

  place        = {United States},

  year         = {Tue Jul 26 00:00:00 EDT 2011},

  month        = {Tue Jul 26 00:00:00 EDT 2011}

}

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Works referenced in this record:

TIN-BASED GROUP IV SEMICONDUCTORS: New Platforms for Opto- and Microelectronics on Silicon
journal, August 2006

Kouvetakis, J.; Menendez, J.; Chizmeshya, A. V. G.
Annual Review of Materials Research, Vol. 36, Issue 1
DOI: 10.1146/annurev.matsci.36.090804.095159

Electron–phonon interaction in tetrahedral semiconductors
journal, January 2005

Cardona, Manuel
Solid State Communications, Vol. 133, Issue 1
DOI: 10.1016/j.ssc.2004.10.028

Measurement of Elastic Constants at Low Temperatures by Means of Ultrasonic Waves–Data for Silicon and Germanium Single Crystals, and for Fused Silica
journal, August 1953

McSkimin, H. J.
Journal of Applied Physics, Vol. 24, Issue 8
DOI: 10.1063/1.1721449

Violation of Vegard's law in covalent semiconductor alloys
journal, December 1976

Fong, C. Y.; Weber, W.; Phillips, J. C.
Physical Review B, Vol. 14, Issue 12
DOI: 10.1103/PhysRevB.14.5387

Length mismatch in random semiconductor alloys. III. Crystalline and amorphous SiGe
journal, December 1992

Mousseau, Normand; Thorpe, M. F.
Physical Review B, Vol. 46, Issue 24
DOI: 10.1103/PhysRevB.46.15887

Defect interactions in Sn1−xGex random alloys
journal, June 2009

Chroneos, A.; Jiang, C.; Grimes, R. W.
Applied Physics Letters, Vol. 94, Issue 25
DOI: 10.1063/1.3159468

Lattice Parameter and Density in Germanium-Silicon Alloys ¹
journal, October 1964

Dismukes, J. P.; Ekstrom, L.; Paff, R. J.
The Journal of Physical Chemistry, Vol. 68, Issue 10
DOI: 10.1021/j100792a049

Structure and thermodynamics of ${Si}_{x}$ ${Ge}_{1 - x}$ alloys from ab initio Monte Carlo simulations
journal, April 1991

de Gironcoli, Stefano; Giannozzi, Paolo; Baroni, Stefano
Physical Review Letters, Vol. 66, Issue 16
DOI: 10.1103/PhysRevLett.66.2116

Algorithms for the rapid simulation of Rutherford backscattering spectra
journal, June 1985

Doolittle, Lawrence R.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 9, Issue 3
DOI: 10.1016/0168-583X(85)90762-1

Ab initio determination of the atomistic structure of ${Si}_{x} {Ge}_{1 - x}$ alloy
journal, October 2001

Venezuela, P.; Dalpian, G. M.; da Silva, Antônio J. R.
Physical Review B, Vol. 64, Issue 19
DOI: 10.1103/PhysRevB.64.193202

Vacancy-mediated dopant diffusion activation enthalpies for germanium
journal, April 2008

Chroneos, A.; Bracht, H.; Grimes, R. W.
Applied Physics Letters, Vol. 92, Issue 17
DOI: 10.1063/1.2918842

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
journal, October 1994

Kresse, G.; Hafner, J.
Journal of Physics: Condensed Matter, Vol. 6, Issue 40
DOI: 10.1088/0953-8984/6/40/015

First-shell bond lengths in ${Si}_{x} {Ge}_{1 - x}$ crystalline alloys
journal, May 1999

Aubry, J. C.; Tyliszczak, T.; Hitchcock, A. P.
Physical Review B, Vol. 59, Issue 20
DOI: 10.1103/PhysRevB.59.12872

Ge–Sn semiconductors for band-gap and lattice engineering
journal, October 2002

Bauer, M.; Taraci, J.; Tolle, J.
Applied Physics Letters, Vol. 81, Issue 16
DOI: 10.1063/1.1515133

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

Conservation of bond lengths in strained Ge-Si layers
journal, January 1991

Woicik, J. C.; Bouldin, C. E.; Bell, M. I.
Physical Review B, Vol. 43, Issue 3
DOI: 10.1103/PhysRevB.43.2419

Test of Vegard's law in thin epitaxial SiGe layers
journal, December 1995

Kasper, E.; Schuh, A.; Bauer, G.
Journal of Crystal Growth, Vol. 157, Issue 1-4
DOI: 10.1016/0022-0248(95)00373-8

Low temperature chemical vapor deposition of Si-based compounds via SiH3SiH2SiH3: Metastable SiSn∕GeSn∕Si(100) heteroepitaxial structures
journal, December 2006

Tolle, J.; Chizmeshya, A. V. G.; Fang, Y. -Y.
Applied Physics Letters, Vol. 89, Issue 23
DOI: 10.1063/1.2403903

Thermal Expansion of Grey Tin
journal, November 1954

Thewlis, J.; Davey, A. R.
Nature, Vol. 174, Issue 4439
DOI: 10.1038/1741011a0

Die Konstitution der Mischkristalle und die Raumf�llung der Atome
journal, January 1921

Vegard, L.
Zeitschrift f�r Physik, Vol. 5, Issue 1
DOI: 10.1007/BF01349680

Nonlinear stability of $E$ centers in ${Si}_{1 - x} {Ge}_{x}$ : Electronic structure calculations
journal, November 2008

Chroneos, A.; Bracht, H.; Jiang, C.
Physical Review B, Vol. 78, Issue 19
DOI: 10.1103/PhysRevB.78.195201

Electronic structure of SnxGe1−x alloys for small Sn compositions: Unusual structural and electronic properties
journal, March 2010

Chibane, Y.; Ferhat, M.
Journal of Applied Physics, Vol. 107, Issue 5
DOI: 10.1063/1.3326162

Lattice location study of ion implanted Sn and Sn-related defects in Ge
journal, April 2010

Decoster, S.; Cottenier, S.; Wahl, U.
Physical Review B, Vol. 81, Issue 15
DOI: 10.1103/PhysRevB.81.155204

Chemical routes to Ge∕Si(100) structures for low temperature Si-based semiconductor applications
journal, February 2007

Wistey, M. A.; Fang, Y. -Y.; Tolle, J.
Applied Physics Letters, Vol. 90, Issue 8
DOI: 10.1063/1.2437098

Electronic structure of ZnS, ZnSe, ZnTe, and their pseudobinary alloys
journal, August 1987

Bernard, James E.; Zunger, Alex
Physical Review B, Vol. 36, Issue 6
DOI: 10.1103/PhysRevB.36.3199

Bond-length relaxation in ${Si}_{1 - x}$ ${Ge}_{x}$ alloys
journal, November 1994

Aldrich, D. B.; Nemanich, R. J.; Sayers, D. E.
Physical Review B, Vol. 50, Issue 20
DOI: 10.1103/PhysRevB.50.15026

Ground State of the Electron Gas by a Stochastic Method
journal, August 1980

Ceperley, D. M.; Alder, B. J.
Physical Review Letters, Vol. 45, Issue 7, p. 566-569
DOI: 10.1103/PhysRevLett.45.566

Length mismatch in random semiconductor alloys. I. General theory for quaternaries
journal, December 1992

Cai, Y.; Thorpe, M. F.
Physical Review B, Vol. 46, Issue 24
DOI: 10.1103/PhysRevB.46.15872

Ab initio calculation of the structure of the random alloys ${Sn}_{x} {Ge}_{1 - x}$
journal, November 1997

Shen, Jianhua; Zi, Jian; Xie, Xide
Physical Review B, Vol. 56, Issue 19
DOI: 10.1103/PhysRevB.56.12084

Unusual structural and electronic properties of SnxGe1−x alloys
journal, November 2003

Chibane, Y.; Bouhafs, B.; Ferhat, M.
physica status solidi (b), Vol. 240, Issue 1
DOI: 10.1002/pssb.200301857

Tensile strained epitaxial Ge films on Si(100) substrates with potential application in L -band telecommunications
journal, February 2004

Cannon, Douglas D.; Liu, Jifeng; Ishikawa, Yasuhiko
Applied Physics Letters, Vol. 84, Issue 6
DOI: 10.1063/1.1645677

Sn-alloying as a means of increasing the optical absorption of Ge at the C - and L -telecommunication bands
journal, October 2009

D'Costa, Vijay R.; Fang, Yanyan; Mathews, Jay
Semiconductor Science and Technology, Vol. 24, Issue 11
DOI: 10.1088/0268-1242/24/11/115006

Experimental and Theoretical Study of Deviations from Vegard's Law in the Sn _x Ge ₁ _- _x System
journal, July 2003

Chizmeshya, A. V. G.; Bauer, M. R.; Kouvetakis, J.
Chemistry of Materials, Vol. 15, Issue 13
DOI: 10.1021/cm0300011

Nonsubstitutional single-atom defects in the ${Ge}_{1 - x} {Sn}_{x}$ alloy
journal, April 2009

Ventura, C. I.; Fuhr, J. D.; Barrio, R. A.
Physical Review B, Vol. 79, Issue 15
DOI: 10.1103/PhysRevB.79.155202

Optical critical points of thin-film ${Ge}_{1 - y} {Sn}_{y}$ alloys: A comparative ${Ge}_{1 - y} {Sn}_{y} ∕ {Ge}_{1 - x} {Si}_{x}$ study
journal, March 2006

D’Costa, Vijay R.; Cook, Candi S.; Birdwell, A. G.
Physical Review B, Vol. 73, Issue 12
DOI: 10.1103/PhysRevB.73.125207

Direct-gap photoluminescence with tunable emission wavelength in Ge1−ySny alloys on silicon
journal, November 2010

Mathews, J.; Beeler, R. T.; Tolle, J.
Applied Physics Letters, Vol. 97, Issue 22
DOI: 10.1063/1.3521391

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Title: Nonlinear structure-composition relationships in the Ge1-ySny/Si(100) (y<0.15) system

Abstract

Citation Formats

TIN-BASED GROUP IV SEMICONDUCTORS: New Platforms for Opto- and Microelectronics on Silicon journal, August 2006

Electron–phonon interaction in tetrahedral semiconductors journal, January 2005

Measurement of Elastic Constants at Low Temperatures by Means of Ultrasonic Waves–Data for Silicon and Germanium Single Crystals, and for Fused Silica journal, August 1953

Violation of Vegard's law in covalent semiconductor alloys journal, December 1976

Length mismatch in random semiconductor alloys. III. Crystalline and amorphous SiGe journal, December 1992

Defect interactions in Sn1−xGex random alloys journal, June 2009

Lattice Parameter and Density in Germanium-Silicon Alloys 1 journal, October 1964

Structure and thermodynamics of Si x Ge 1 − x alloys from ab initio Monte Carlo simulations journal, April 1991

Algorithms for the rapid simulation of Rutherford backscattering spectra journal, June 1985

Ab initio determination of the atomistic structure of Si x Ge 1 − x alloy journal, October 2001

Vacancy-mediated dopant diffusion activation enthalpies for germanium journal, April 2008

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements journal, October 1994

First-shell bond lengths in Si x Ge 1 − x crystalline alloys journal, May 1999

Ge–Sn semiconductors for band-gap and lattice engineering journal, October 2002

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Conservation of bond lengths in strained Ge-Si layers journal, January 1991

Test of Vegard's law in thin epitaxial SiGe layers journal, December 1995

Low temperature chemical vapor deposition of Si-based compounds via SiH3SiH2SiH3: Metastable SiSn∕GeSn∕Si(100) heteroepitaxial structures journal, December 2006

Thermal Expansion of Grey Tin journal, November 1954

Die Konstitution der Mischkristalle und die Raumf�llung der Atome journal, January 1921

Nonlinear stability of E centers in Si 1 − x Ge x : Electronic structure calculations journal, November 2008

Electronic structure of SnxGe1−x alloys for small Sn compositions: Unusual structural and electronic properties journal, March 2010

Lattice location study of ion implanted Sn and Sn-related defects in Ge journal, April 2010

Chemical routes to Ge∕Si(100) structures for low temperature Si-based semiconductor applications journal, February 2007

Electronic structure of ZnS, ZnSe, ZnTe, and their pseudobinary alloys journal, August 1987

Bond-length relaxation in Si 1 − x Ge x alloys journal, November 1994

Ground State of the Electron Gas by a Stochastic Method journal, August 1980

Length mismatch in random semiconductor alloys. I. General theory for quaternaries journal, December 1992

Ab initio calculation of the structure of the random alloys Sn x Ge 1 − x journal, November 1997

Unusual structural and electronic properties of SnxGe1−x alloys journal, November 2003

Tensile strained epitaxial Ge films on Si(100) substrates with potential application in L -band telecommunications journal, February 2004

Sn-alloying as a means of increasing the optical absorption of Ge at the C - and L -telecommunication bands journal, October 2009

Experimental and Theoretical Study of Deviations from Vegard's Law in the Sn x Ge 1 - x System journal, July 2003

Nonsubstitutional single-atom defects in the Ge 1 − x Sn x alloy journal, April 2009

Optical critical points of thin-film Ge 1 − y Sn y alloys: A comparative Ge 1 − y Sn y ∕ Ge 1 − x Si x study journal, March 2006

Direct-gap photoluminescence with tunable emission wavelength in Ge1−ySny alloys on silicon journal, November 2010

Title: Nonlinear structure-composition relationships in the Ge_1-ySn_y/Si(100) (y<0.15) system

TIN-BASED GROUP IV SEMICONDUCTORS: New Platforms for Opto- and Microelectronics on Silicon
journal, August 2006

Electron–phonon interaction in tetrahedral semiconductors
journal, January 2005

Measurement of Elastic Constants at Low Temperatures by Means of Ultrasonic Waves–Data for Silicon and Germanium Single Crystals, and for Fused Silica
journal, August 1953

Violation of Vegard's law in covalent semiconductor alloys
journal, December 1976

Length mismatch in random semiconductor alloys. III. Crystalline and amorphous SiGe
journal, December 1992

Defect interactions in Sn1−xGex random alloys
journal, June 2009

Lattice Parameter and Density in Germanium-Silicon Alloys ¹
journal, October 1964

Structure and thermodynamics of ${Si}_{x}$ ${Ge}_{1 - x}$ alloys from ab initio Monte Carlo simulations
journal, April 1991

Algorithms for the rapid simulation of Rutherford backscattering spectra
journal, June 1985

Ab initio determination of the atomistic structure of ${Si}_{x} {Ge}_{1 - x}$ alloy
journal, October 2001

Vacancy-mediated dopant diffusion activation enthalpies for germanium
journal, April 2008

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
journal, October 1994

First-shell bond lengths in ${Si}_{x} {Ge}_{1 - x}$ crystalline alloys
journal, May 1999

Ge–Sn semiconductors for band-gap and lattice engineering
journal, October 2002

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Conservation of bond lengths in strained Ge-Si layers
journal, January 1991

Test of Vegard's law in thin epitaxial SiGe layers
journal, December 1995

Low temperature chemical vapor deposition of Si-based compounds via SiH3SiH2SiH3: Metastable SiSn∕GeSn∕Si(100) heteroepitaxial structures
journal, December 2006

Thermal Expansion of Grey Tin
journal, November 1954

Die Konstitution der Mischkristalle und die Raumf�llung der Atome
journal, January 1921

Nonlinear stability of $E$ centers in ${Si}_{1 - x} {Ge}_{x}$ : Electronic structure calculations
journal, November 2008

Electronic structure of SnxGe1−x alloys for small Sn compositions: Unusual structural and electronic properties
journal, March 2010

Lattice location study of ion implanted Sn and Sn-related defects in Ge
journal, April 2010

Chemical routes to Ge∕Si(100) structures for low temperature Si-based semiconductor applications
journal, February 2007

Electronic structure of ZnS, ZnSe, ZnTe, and their pseudobinary alloys
journal, August 1987

Bond-length relaxation in ${Si}_{1 - x}$ ${Ge}_{x}$ alloys
journal, November 1994

Ground State of the Electron Gas by a Stochastic Method
journal, August 1980

Length mismatch in random semiconductor alloys. I. General theory for quaternaries
journal, December 1992

Ab initio calculation of the structure of the random alloys ${Sn}_{x} {Ge}_{1 - x}$
journal, November 1997

Unusual structural and electronic properties of SnxGe1−x alloys
journal, November 2003

Tensile strained epitaxial Ge films on Si(100) substrates with potential application in L -band telecommunications
journal, February 2004

Sn-alloying as a means of increasing the optical absorption of Ge at the C - and L -telecommunication bands
journal, October 2009

Experimental and Theoretical Study of Deviations from Vegard's Law in the Sn _x Ge ₁ _- _x System
journal, July 2003

Nonsubstitutional single-atom defects in the ${Ge}_{1 - x} {Sn}_{x}$ alloy
journal, April 2009

Optical critical points of thin-film ${Ge}_{1 - y} {Sn}_{y}$ alloys: A comparative ${Ge}_{1 - y} {Sn}_{y} ∕ {Ge}_{1 - x} {Si}_{x}$ study
journal, March 2006

Direct-gap photoluminescence with tunable emission wavelength in Ge1−ySny alloys on silicon
journal, November 2010