The Library

Thickness dependence of the strain, band gap and transport properties of epitaxial In2O3thin films grown on Y-stabilised ZrO2(111)

Tools

Zhang, K. H. L., Lazarov, V. K., Veal, T. D. (Tim D.), Oropeza, F. E., McConville, C. F. (Chris F.), Egdell, R. G. and Walsh, Aron. (2011) Thickness dependence of the strain, band gap and transport properties of epitaxial In2O3thin films grown on Y-stabilised ZrO2(111). Journal of Physics: Condensed Matter, Vol.23 (No.33). Article 334211. ISSN 0953-8984

Full text not available from this repository.

Official URL: http://dx.doi.org/10.1088/0953-8984/23/33/334211

Abstract

Epitaxial films of In(2)O(3) have been grown on Y-stabilised ZrO(2)(111) substrates by molecular beam epitaxy over a range of thicknesses between 35 and 420 nm. The thinnest films are strained, but display a 'cross-hatch' morphology associated with a network of misfit dislocations which allow partial accommodation of the lattice mismatch. With increasing thickness a 'dewetting' process occurs and the films break up into micron sized mesas, which coalesce into continuous films at the highest coverages. The changes in morphology are accompanied by a progressive release of strain and an increase in carrier mobility to a maximum value of 73 cm(2) V(-1) s(-1). The optical band gap in strained ultrathin films is found to be smaller than for thicker films. Modelling of the system, using a combination of classical pair-wise potentials and ab initio density functional theory, provides a microscopic description of the elastic contributions to the strained epitaxial growth, as well as the electronic effects that give rise to the observed band gap changes. The band gap increase induced by the uniaxial compression is offset by the band gap reduction associated with the epitaxial tensile strain.

Item Type:

Journal Article

Subjects:

Q Science > QC Physics
Q Science > QD Chemistry

Divisions:

Faculty of Science > Physics

Library of Congress Subject Headings (LCSH):

Thin films -- Optical properties, Semiconductors, Molecular beam epitaxy, X-rays -- Diffraction, Oxide coating

Journal or Publication Title:

Journal of Physics: Condensed Matter

Publisher:

Institute of Physics Publishing Ltd.

ISSN:

0953-8984

Official Date:

August 2011

Dates:

Date	Event
August 2011	Published

Volume:

Vol.23

Number:

No.33

Page Range:

Article 334211

Identification Number:

10.1088/0953-8984/23/33/334211

Status:

Peer Reviewed

Publication Status:

Published

References:

[1] Granqvist C G and Hultaker A 2002 Thin Solid Films 411 1
[2] Tsukazaki A, Ohtomo A, Kita T, Ohno Y, Ohno H and
Kawasaki M 2007 Science 315 1388
[3] Ohta H, Orita M, Hirano M, Tanji H, Kawazoe H and
Hosono H 2000 Appl. Phys. Lett. 76 2740
[4] Ohta H, Orita M, Hirano M and Hosono H 2002 J. Appl. Phys.
91 3547
[5] Koida T and Kondo M 2006 J. Appl. Phys. 99 123703
[6] Taga N, Maekawa M, Shigesato Y, Yasui I, Kakei M and
Haynes T E 1998 Japan. J. Appl. Phys. 1 37 6524
[7] Taga N, Maekawa M, Kamei M, Yasui I and Shigesato Y 1998
Japan. J. Appl. Phys. 1 37 6585
[8] Bourlange A, Payne D J, Egdell R G, Foord J S, Edwards P P,
Jones M O, Schertel A, Dobson P J and Hutchison J L 2008
Appl. Phys. Lett. 92 092117
[9] Bourlange A, Payne D J, Jacobs R M J, Egdell R G, Foord J S,
Schertel A, Dobson P J and Hutchison J L 2008 Chem.
Mater. 20 4551
[10] Bourlange A, Payne D J, Palgrave R G, Foord J S, Egdell R G,
Jacobs R M J, Schertel A, Hutchison J L and Dobson P J
2009 Thin Solid Films 517 4286
[11] Bourlange A, Payne D J, Palgrave R G, Zhang H, Foord J S,
Egdell R G, Jacobs R M J, Veal T D, King P D C and
McConville C F 2009 J. Appl. Phys. 106 013703
[12] Morales E H, He Y B, Vinnichenko M, Delley B and
Diebold U 2008 New J. Phys. 10 125030
[13] Morales E H and Diebold U 2009 Appl. Phys. Lett. 95 253105
[14] Bierwagen O, White M E, Tsai M Y and Speck J S 2009 Appl.
Phys. Lett. 95 262105
[15] Bierwagen O and Speck J S 2010 J. Appl. Phys. 107 113159
[16] Zhang K H L et al 2009 Chem. Mater. 21 4353
[17] Zhang K H L, Walsh A, Catlow C R A, Lazarov V K and
Egdell R G 2010 Nano Lett. 10 3740
[18] Hamberg I, Granqvist C G, Berggren K F, Sernelius B E and
Engstrom L 1984 Phys. Rev. B 30 3240
[19] Erhart P, Klein A, Egdell R G and Albe K 2007 Phys. Rev. B
75 153205
[20] Walsh A et al 2008 Phys. Rev. Lett. 100 167402
[21] Weiher R L and Ley R P 1966 J. Appl. Phys. 37 299
[22] King P D C et al 2009 Phys. Rev. B 79 205211
[23] King P D C, Veal T D, Payne D J, Bourlange A, Egdell R G
and McConville C F 2008 Phys. Rev. Lett. 101 116808
[24] Korber C, Krishnakumar V, Klein A, Panaccione G, Torelli P,
Walsh A, Da Silva J L F, Wei S H, Egdell R G and
Payne D J 2010 Phys. Rev. B 81 165207
[25] Marezio M 1966 Acta Crystallogr. 20 723
[26] Morinaga M, Cohen J B and Faber J 1979 Acta Crystallogr. A
35 789
[27] Born M and Huang K 1956 Dynamical Theory of Crystal
Lattices (Oxford: Oxford University Press)
[28] Walsh A, Catlow C R A, Sokol A A and Woodley S M 2009
Chem. Mater. 21 4962
[29] Walsh A, Woodley S M, Catlow C R A and Sokol A A 2011
Solid State Ion. 184 52
[30] Gale J D and Rohl A L 2003 Mol. Simul. 29 291
[31] Kohn W and Sham L J 1965 Phys. Rev. 140 1133
[32] Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
[33] Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
[34] Kresse G and Furthm¨uller J 1996 Comput. Mater. Sci. 6 15
[35] Walsh A, Da Silva J L F, Yan Y F, Al-Jassim M M and
Wei S H 2009 Phys. Rev. B 79 073105
[36] Heyd J and Scuseria G E 2004 J. Chem. Phys. 121 1187
[37] Heyd J, Scuseria G E and Ernzerhof M 2003 J. Chem. Phys.
118 8207
[38] Marsman M, Paier J, Stroppa A and Kresse G 2008 J. Phys.:
Condens. Matter 20 064210
[39] Scanlon D O, Morgan B J, Watson G W and Walsh A 2009
Phys. Rev. Lett. 103 096405
[40] Walsh A and Catlow C R A 2010 J. Mater. Chem. 20 10438
[41] O’Neil D H, Walsh A, Jacobs R M J, Kuznetsov V L,
Egdell R G and Edwards P P 2010 Phys. Rev. B 81 085110
[42] Segmuller A 1991 J. Vac. Sci. Technol. A 9 2477
[43] Neerinck D G and Vink T J 1996 Thin Solid Films 278 12
[44] Matthews J W and Blakeslee A E 1974 J. Cryst. Growth
27 118
[45] Bennett B R and del Alamo J R 2002 Fourth Int. Conf. on
Indium Phosphide and Related Materials p 650
[46] Kishino S, Ogirima M and Kurata K 1972 J. Electrochem. Soc.
119 617
[47] Chen H, Li Y K, Peng C S, Liu H F, Liu Y L, Huang Q,
Zhou J M and Xue Q K 2002 Phys. Rev. B 65 233303
[48] Lutz M A, Feenstra R M, Legoues F K, Mooney P M and
Chu J O 1995 Appl. Phys. Lett. 66 724
[49] Albrecht M, Christiansen S, Michler J, DorschW, Strunk H P,
Hansson P O and Bauser E 1995 Appl. Phys. Lett. 67 1232
[50] Hull D and Bacon D J 2001 Introduction to Dislocations
(Oxford: Butterworth–Heinemann)
[51] Coll M, Gazquez J, Pomar A, Puig T, Sandiumenge F and
Obradors X 2006 Phys. Rev. B 73 075420
[52] Lany S and Zunger A 2007 Phys. Rev. Lett. 98 045501
[53] Ohya Y, Yamamoto T and Ban T 2008 J. Am. Ceram. Soc.
91 240
[54] King P D C et al 2009 Phys. Rev. B 80 081281
[55] Lebedev V, Cimalla V, Baumann T, Ambacher O,
Morales F M, Lozano J G and Gonzalez D 2006 J. Appl.
Phys. 100 094903
[56] Piper L F J, Veal T D, McConville C F, Lu H and Schaff W J
2006 Appl. Phys. Lett. 88 252109
[57] King P D C, Veal T D and McConville C F 2009 J. Phys.:
Condens. Matter 21 174201
[58] Lebedev V, Cimalla V, Pezoldt J, Himmerlich M, Krischok S,
Schaefer J A, Ambacher O, Morales F M, Lozano J G and
Gonzalez D 2006 J. Appl. Phys. 100 094902
[59] Pankove J I 1976 Optical Processes in Semiconductors
(New York: Dover)
[60] Bardeen J and ShockleyW 1950 Phys. Rev. 80 72
[61] Janotti A and Van deWalle C G 2007 Phys. Rev. B 75 121201
[62] Zhu Y Z, Chen G D, Ye H G, Walsh A, Moon C Y and
Wei S H 2008 Phys. Rev. B 77 245209
[63] Li Y H, Gong X G and Wei S H 2006 Phys. Rev. B 73 245206
[64] Gai Y Q, Yao B, Lu Y M, Shen D Z, Zhang J Y, Zhao D X and
Fan X W 2007 Phys. Lett. A 372 72
[65] Li Y F et al 2007 Appl. Phys. Lett. 91 021915
[66] Van de Walle C G and Martin R M 1989 Phys. Rev. Lett.
62 2028
[67] Hamberg I and Granqvist C G 1986 J. Appl. Phys. 60 R123