ZnO1-xTex and ZnO1-xSx semiconductor alloys as competent materials for opto-electronic and solar cell applications:a comparative analysis

Utsa Das; Partha P. Pal

doi:10.1088/1674-4926/38/8/082001

J. Semicond. > 2017, Volume 38?>?Issue 8?> 082001

SEMICONDUCTOR PHYSICS

ZnO_1-xTe_x and ZnO_1-xS_x semiconductor alloys as competent materials for opto-electronic and solar cell applications:a comparative analysis

Utsa Das^{1, 2} and Partha P. Pal^2,

+ Author Affiliations

Corresponding author: Partha P.Pal, Email:phys.ppal@gmail.com

DOI: 10.1088/1674-4926/38/8/082001

Abstract: ZnO_1-xTe_x ternary alloys have great potential to work as a photovoltaic (PV) absorber in solar cells. ZnO_1-xS_x is also a ZnO based alloy that have uses in solar cells. In this paper we report the comparative study of various parameters of ZnO_1-xTe_x and ZnO_1-xS_x for selecting it to be a competent material for solar cell applications. The parameters are mainly being calculated using the well-known VCA (virtual crystal approximation) and VBAC (Valence Band Anti-Crossing) model. It was certainly being analysed that the incorporation of Te atoms produces a high band gap lower than S atoms in the host ZnO material. The spin-orbit splitting energy value of ZnO_1-xTe_x was found to be higher than that of ZnO_1-xS_x. Beside this, the strain effects are also higher in ZnO_1-xTe_x than ZnO_1-xS_x. The remarkable notifying result which the paper is reporting is that at a higher percentage of Te atoms in ZnO_1-xTe_x, the spin-orbit splitting energy value rises above the band gap value, which signifies a very less internal carrier recombination that decreases the leakage current and increases the efficiency of the solar cell. Moreover, it also covers a wide wavelength range compared to ZnO_1-xS_x.

Key words: VBAC model, semiconductor alloys, band gap, spin-orbit splitting energy, strain, solar cell

References

[1]	We? na M, Kudrawiec R, Nabetani Y. Effects of a semiconductor matrix on the band anticrossing in dilute group Ⅱ-Ⅵ oxides. Semicond Sci Technol, 2015, 30:085018 doi: 10.1088/0268-1242/30/8/085018
[2]	He Y B, Zhang L, Wang L H, et al. Structural and optical properties of single-phase ZnO_1-xS_x alloy films epitaxially grown by pulsed laser deposition. J Alloys Compounds, 2014, 587:369 doi: 10.1016/j.jallcom.2013.10.201
[3]	Ramanathan S, Patibandla S, Bandyopadhyay S, et al. Fluorescence and infrared spectroscopy of electrochemically self assembled ZnO nanowires:evidence of the quantum confined Stark effect. J Mater Sci:Mater Electron, 2006, 17:651 doi: 10.1007/s10854-006-0021-4
[4]	Jaquez M, Yu K M, Ting M, et al. Growth and characterization of ZnO_1-xS_x highly mismatched alloys over the entire composition. J Appl Phys, 2015, 118:215702 doi: 10.1063/1.4936551
[5]	Gonfa B A, da Cunha A F, Timmons A B. ZnO nanostructures for photovoltaic cells. Phys Stat Solidi B, 2010, 247:1633 doi: 10.1002/pssb.v247:7
[6]	Gondek E, Djaoued Y, Priya S, et al. Organic hybrid solar cells——influence of ZnO nanoparticles on the photovoltaic efficiency. Mater Lett, 2014, 131:259 doi: 10.1016/j.matlet.2014.06.007
[7]	Ting M, dos Reis R, Jaquez M, et al. Electronic band structure of ZnO-rich highly mismatched ZnO_1-xTe_x alloys. Appl Phys Lett, 2015, 106:092101 doi: 10.1063/1.4913840
[8]	Wang W, Bowen W, Spanninga S, et al. Optical characteristics of ZnTeO thin films synthesized by pulsed laser deposition and molecular beam epitaxy. J Electron Mater, 2009, 38:119 doi: 10.1007/s11664-008-0577-2
[9]	Nabetani Y, Okuno T, Aoki K, et al. Photoluminescence properties of ZnTeO and ZnSeO alloys with dilute O concentrations. Phys Status Solidi C, 2006, 3:1078 doi: 10.1002/(ISSN)1610-1642
[10]	Lin A S, Wang W, Phillips J D. Model for intermediate band solar cells incorporating carrier transport and recombination. J Appl Phys, 2009, 105:064512 doi: 10.1063/1.3093962
[11]	Wang W, Lin A S, Phillips J D, et al. Generation and recombination rates at ZnTe:O intermediate band states. Appl Phys Lett, 2009, 95:261107 doi: 10.1063/1.3274131
[12]	Thankalekshmi R R, Rastogi A C. Structure and optical band gap of ZnO_1-xS_x thin films synthesized by chemical spray pyrolysis for application in solar cells. J Appl Phys, 2012, 112:063708 doi: 10.1063/1.4754014
[13]	Meyer B K, Polity A, Farangis B, et al. Structural properties and bandgap bowing of ZnO_1-xS_x thin films deposited by reactive sputtering. Appl Phys Lett, 2004, 85:4929 doi: 10.1063/1.1825053
[14]	Wu J Q, Walukiewicz W, Yu K M, et al. Origin of large band-gap bowing in highly mismatched semiconductor alloys. Phys Rev B, 2003, 67:035207 doi: 10.1103/PhysRevB.67.035207
[15]	Walukiewicz W, Shan W, Yu K M, et al. Interaction of localised electronic states with conduction band:band anti-crossing in Ⅱ-Ⅵ semiconductor ternaries. Phys Rev Lett, 2000, 85:7
[16]	Alberi J, Blacksberg, Bell L D, et al. Band anticrossing in highly mismatched Sn_xGe_1-x semiconductor alloys. Phys Rev B, 2008, 77:073202 doi: 10.1103/PhysRevB.77.073202
[17]	Iribarren A, Fernández P, Piqueras J. Recombination processes in Te-doped ZnO microstructures. Phys Status Solidi B, 2014, 251:683 doi: 10.1002/pssb.201248600
[18]	Vegard L. The constitution of the mixed crystals and the room filling the atoms. Z Phys, 1921, 5:17 doi: 10.1007/BF01349680
[19]	Gai Y Q, Tang G. Effects of hydrostatic pressures on the ionization and formation energies of dopants in ZnO and ZnTe. Phys Lett A, 2014, 378:82 doi: 10.1016/j.physleta.2013.10.041
[20]	Janetzko F, Jug K. Miscibility of zinc chalcogenides. J Phys Chem A, 2004, 108:5449 doi: 10.1021/jp040061+
[21]	Ashrafi A, Jagadish C. Review of zincblende ZnO:stability of metastable ZnO phases. J Appl Phys, 2007, 102:071101 doi: 10.1063/1.2787957
[22]	Samajdar D P, Das T D, Dhar S. Valence band anticrossing for Ga Sb_1-xBi_x and Ga Sb_1-xBi_x using k. p method. Mater Sci Semicond Process, 2015, 40: 539
[23]	Niv A, Abrams Z R, Gharghi M, et al. Overcoming the bandgap limitation on solar cell materials. Appl Phys Lett, 2012, 100:083901 doi: 10.1063/1.3682101
[24]	Sweeney S J, Jin S R. Bismide-nitride alloys:promising for efficient light emitting devices in the near-and mid-infrared. J Appl Phys, 2013, 113:043110 doi: 10.1063/1.4789624

Fig. 1. Band gap variation of ZnO$_{{1-x}}$Te$_{{x}}$ and ZnO$_{{1-x}}$S$_{{x\thinspace }}$with dependence on Te and S mole fraction respectively.

DownLoad: Full-Size Img PowerPoint

Fig. 2. Spin-orbit splitting energy disparity for ZnO$_{{1-x}}$Te$_{{x}}$ and ZnO$_{{1-x}}$S$_{{x\thinspace }}$pivoting upon Te and S mole fraction respectively.

DownLoad: Full-Size Img PowerPoint

Fig. 3. Band gap and spin-orbit splitting energy variation for ZnO$_{{1-x}}$Te$_{{x}}$ and ZnO$_{{1-x}}$S$_{{x\thinspace }}$depending on Te and S mole fraction respectively.

DownLoad: Full-Size Img PowerPoint

Fig. 4. Compressive strain effects on ZnO$_{{1-x}}$Te$_{{x}}$ and ZnO$_{{1-x}}$S$_{{x\thinspace }}$depending upon the Te and S mole fraction respectively.

DownLoad: Full-Size Img PowerPoint

Fig. 5. Wavelength variation of ZnO$_{{1-x}}$Te$_{{x}}$ and ZnO$_{{1-x}}$S$_{{x\thinspace }}$depending on Te and S mole fraction respectively.

DownLoad: Full-Size Img PowerPoint

Table 1. ZnO input parameters for the calculations.

Table 2. Other input parameters for calculations.

Table 3. Results obtained from calculations.

[1]	We? na M, Kudrawiec R, Nabetani Y. Effects of a semiconductor matrix on the band anticrossing in dilute group Ⅱ-Ⅵ oxides. Semicond Sci Technol, 2015, 30:085018 doi: 10.1088/0268-1242/30/8/085018
[2]	He Y B, Zhang L, Wang L H, et al. Structural and optical properties of single-phase ZnO_1-xS_x alloy films epitaxially grown by pulsed laser deposition. J Alloys Compounds, 2014, 587:369 doi: 10.1016/j.jallcom.2013.10.201
[3]	Ramanathan S, Patibandla S, Bandyopadhyay S, et al. Fluorescence and infrared spectroscopy of electrochemically self assembled ZnO nanowires:evidence of the quantum confined Stark effect. J Mater Sci:Mater Electron, 2006, 17:651 doi: 10.1007/s10854-006-0021-4
[4]	Jaquez M, Yu K M, Ting M, et al. Growth and characterization of ZnO_1-xS_x highly mismatched alloys over the entire composition. J Appl Phys, 2015, 118:215702 doi: 10.1063/1.4936551
[5]	Gonfa B A, da Cunha A F, Timmons A B. ZnO nanostructures for photovoltaic cells. Phys Stat Solidi B, 2010, 247:1633 doi: 10.1002/pssb.v247:7
[6]	Gondek E, Djaoued Y, Priya S, et al. Organic hybrid solar cells——influence of ZnO nanoparticles on the photovoltaic efficiency. Mater Lett, 2014, 131:259 doi: 10.1016/j.matlet.2014.06.007
[7]	Ting M, dos Reis R, Jaquez M, et al. Electronic band structure of ZnO-rich highly mismatched ZnO_1-xTe_x alloys. Appl Phys Lett, 2015, 106:092101 doi: 10.1063/1.4913840
[8]	Wang W, Bowen W, Spanninga S, et al. Optical characteristics of ZnTeO thin films synthesized by pulsed laser deposition and molecular beam epitaxy. J Electron Mater, 2009, 38:119 doi: 10.1007/s11664-008-0577-2
[9]	Nabetani Y, Okuno T, Aoki K, et al. Photoluminescence properties of ZnTeO and ZnSeO alloys with dilute O concentrations. Phys Status Solidi C, 2006, 3:1078 doi: 10.1002/(ISSN)1610-1642
[10]	Lin A S, Wang W, Phillips J D. Model for intermediate band solar cells incorporating carrier transport and recombination. J Appl Phys, 2009, 105:064512 doi: 10.1063/1.3093962
[11]	Wang W, Lin A S, Phillips J D, et al. Generation and recombination rates at ZnTe:O intermediate band states. Appl Phys Lett, 2009, 95:261107 doi: 10.1063/1.3274131
[12]	Thankalekshmi R R, Rastogi A C. Structure and optical band gap of ZnO_1-xS_x thin films synthesized by chemical spray pyrolysis for application in solar cells. J Appl Phys, 2012, 112:063708 doi: 10.1063/1.4754014
[13]	Meyer B K, Polity A, Farangis B, et al. Structural properties and bandgap bowing of ZnO_1-xS_x thin films deposited by reactive sputtering. Appl Phys Lett, 2004, 85:4929 doi: 10.1063/1.1825053
[14]	Wu J Q, Walukiewicz W, Yu K M, et al. Origin of large band-gap bowing in highly mismatched semiconductor alloys. Phys Rev B, 2003, 67:035207 doi: 10.1103/PhysRevB.67.035207
[15]	Walukiewicz W, Shan W, Yu K M, et al. Interaction of localised electronic states with conduction band:band anti-crossing in Ⅱ-Ⅵ semiconductor ternaries. Phys Rev Lett, 2000, 85:7
[16]	Alberi J, Blacksberg, Bell L D, et al. Band anticrossing in highly mismatched Sn_xGe_1-x semiconductor alloys. Phys Rev B, 2008, 77:073202 doi: 10.1103/PhysRevB.77.073202
[17]	Iribarren A, Fernández P, Piqueras J. Recombination processes in Te-doped ZnO microstructures. Phys Status Solidi B, 2014, 251:683 doi: 10.1002/pssb.201248600
[18]	Vegard L. The constitution of the mixed crystals and the room filling the atoms. Z Phys, 1921, 5:17 doi: 10.1007/BF01349680
[19]	Gai Y Q, Tang G. Effects of hydrostatic pressures on the ionization and formation energies of dopants in ZnO and ZnTe. Phys Lett A, 2014, 378:82 doi: 10.1016/j.physleta.2013.10.041
[20]	Janetzko F, Jug K. Miscibility of zinc chalcogenides. J Phys Chem A, 2004, 108:5449 doi: 10.1021/jp040061+
[21]	Ashrafi A, Jagadish C. Review of zincblende ZnO:stability of metastable ZnO phases. J Appl Phys, 2007, 102:071101 doi: 10.1063/1.2787957
[22]	Samajdar D P, Das T D, Dhar S. Valence band anticrossing for Ga Sb_1-xBi_x and Ga Sb_1-xBi_x using k. p method. Mater Sci Semicond Process, 2015, 40: 539
[23]	Niv A, Abrams Z R, Gharghi M, et al. Overcoming the bandgap limitation on solar cell materials. Appl Phys Lett, 2012, 100:083901 doi: 10.1063/1.3682101
[24]	Sweeney S J, Jin S R. Bismide-nitride alloys:promising for efficient light emitting devices in the near-and mid-infrared. J Appl Phys, 2013, 113:043110 doi: 10.1063/1.4789624

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Received: 01 October 2016 Revised: 04 March 2017 Online: Published: 01 August 2017

ZnO_1-xTe_x ternary alloys have great potential to work as a photovoltaic (PV) absorber in solar cells. ZnO_1-xS_x is also a ZnO based alloy that have uses in solar cells. In this paper we report the comparative study of various parameters of ZnO_1-xTe_x and ZnO_1-xS_x for selecting it to be a competent material for solar cell applications. The parameters are mainly being calculated using the well-known VCA (virtual crystal approximation) and VBAC (Valence Band Anti-Crossing) model. It was certainly being analysed that the incorporation of Te atoms produces a high band gap lower than S atoms in the host ZnO material. The spin-orbit splitting energy value of ZnO_1-xTe_x was found to be higher than that of ZnO_1-xS_x. Beside this, the strain effects are also higher in ZnO_1-xTe_x than ZnO_1-xS_x. The remarkable notifying result which the paper is reporting is that at a higher percentage of Te atoms in ZnO_1-xTe_x, the spin-orbit splitting energy value rises above the band gap value, which signifies a very less internal carrier recombination that decreases the leakage current and increases the efficiency of the solar cell. Moreover, it also covers a wide wavelength range compared to ZnO_1-xS_x.

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ZnO_1-xTe_x and ZnO_1-xS_x semiconductor alloys as competent materials for opto-electronic and solar cell applications:a comparative analysis

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ZnO_1-xTe_x and ZnO_1-xS_x semiconductor alloys as competent materials for opto-electronic and solar cell applications:a comparative analysis

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ZnO1-xTex and ZnO1-xSx semiconductor alloys as competent materials for opto-electronic and solar cell applications:a comparative analysis

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ZnO_1-xTe_x and ZnO_1-xS_x semiconductor alloys as competent materials for opto-electronic and solar cell applications:a comparative analysis

ZnO_1-xTe_x and ZnO_1-xS_x semiconductor alloys as competent materials for opto-electronic and solar cell applications:a comparative analysis