Simulation and experimental study of InN nanoparticles synthesized by ion implantation technology.
Fat-top profile simulation
InN semiconductor
Ion implantation
Nanoparticles
Journal
Journal of molecular modeling
ISSN: 0948-5023
Titre abrégé: J Mol Model
Pays: Germany
ID NLM: 9806569
Informations de publication
Date de publication:
01 Jul 2024
01 Jul 2024
Historique:
received:
25
03
2024
accepted:
20
06
2024
medline:
2
7
2024
pubmed:
2
7
2024
entrez:
1
7
2024
Statut:
epublish
Résumé
In order to synthesize InN nanoparticles (NPs), we have simulated the co-implantation of indium (In) and nitrogen (N) ions on silicon (Si) and silicon oxide (SiO The simulated profiles have been chosen with the aim that the implanted element not exceeding 5-10 at %maximum concentration for each species. We have elaborated our program to simulate these profiles using data as input values from SRIM2008 code taking into account the sputtering factor. The optimal conditions are determined, which are the expected depth impact energies (R
Identifiants
pubmed: 38951282
doi: 10.1007/s00894-024-06036-6
pii: 10.1007/s00894-024-06036-6
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
236Informations de copyright
© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.
Références
Ahmad U, Aslam S, Mustafa F, Jamil A, Ahmad MA (2018) Synthesis and characterization of InN quantum dots for optoelectronic applications. Optik 173:97–100. https://doi.org/10.1016/j.ijleo.2018.07.104
doi: 10.1016/j.ijleo.2018.07.104
Osamura K, Naka S, Murakami Y (1975) Preparation and optical-properties of Ga1-xInxN thin-films. J Appl Phys 46:3432–3437. https://doi.org/10.1063/1.322064
doi: 10.1063/1.322064
Natarajan B, Eltoukhy A, Greene J, Barr T (1980) Mechanisms of reactive sputtering of indium II: Growth of indium oxynitride in mixed N2–O2 discharges. Thin Solid Films 69:217–227. https://doi.org/10.1016/0040-6090(80)90038-3
doi: 10.1016/0040-6090(80)90038-3
Graine R, Chemam R, Gasmi F, Nouri R, Meradji H, Khenata R (2015) First principles calculations of structural, electronic and optical properties of InN compound. Int J Mod Phys B 29:1550028. https://doi.org/10.1142/S0217979215500289
doi: 10.1142/S0217979215500289
Guo Q, Tanaka T, Nishio M, Ogawa H, Pu X, Shen W (2005) Observation of visible luminescence from indium nitride at room temperature. Appl Phys Lett 86:231913. https://doi.org/10.1063/1.1947914
doi: 10.1063/1.1947914
Hain C, Schweizer P, Sturm P, Borzì A, Thomet JE, Michler J et al (2023) Microwave plasma-assisted reactive HiPIMS of InN films: plasma environment and material characterisation. Surf Coat Technol 454:129188. https://doi.org/10.1016/j.surfcoat.2022.129188
doi: 10.1016/j.surfcoat.2022.129188
Hernández-Gutiérrez C, Kudriavtsev Y, Cardona D, Hernández A, Camas-Anzueto J (2021) Optical, electrical, and chemical characterization of nanostructured InxGa1-xN formed by high fluence In+ ion implantation into GaN. Opt Mater 111:110541. https://doi.org/10.1016/j.optmat.2020.110541
doi: 10.1016/j.optmat.2020.110541
Huang P, Shi J, Wang P, Zhang M, Ding Y, Wu M et al (2016) Origin of the wide band gap from 0.6 to 2.3 eV in photovoltaic material In N: quantum confinement from surface nanostructure. J Mater Chem A 4:17412–8. https://doi.org/10.1039/C6TA07700E
doi: 10.1039/C6TA07700E
Cheng G, André P, Firth AV, Khanna PK, Zhou W, Samuel ID et al (2007) Tuned light emission from nanoparticles of cadmium chalcogenides and nanostructures in indium nitride. Synth React Inorg, Met-Org, Nano-Met Chem 37:309–313. https://doi.org/10.1080/15533170701385598
doi: 10.1080/15533170701385598
Tyagai V, Evstigneev A, Krasiko A, Andreeva A, Malakhov VY Optical properties of indium nitride films. Fiz. Tekh. Poluprovodn.;(USSR). 1977 11 https://doi.org/10.1007/s10812-006-0041-0
Jenkins DW, Hong R-D, Dow JD (1987) Band structure of InN. Superlattices Microstruct 3:365–369. https://doi.org/10.1016/0749-6036(87)90207-2
doi: 10.1016/0749-6036(87)90207-2
Chen PP-T, Butcher KSA, Wintrebert-Fouquet M, Wuhrer R, Phillips MR, Prince KE et al (2006) Apparent band-gap shift in InN films grown by remote-plasma-enhanced CVD. J Cryst Growth 288:241–246. https://doi.org/10.1016/j.jcrysgro.2005.12.005
doi: 10.1016/j.jcrysgro.2005.12.005
Westra K, Lawson R, Brett M (1988) The effects of oxygen contamination on the properties of reactively sputtered indium nitride films. J Vac Sci Technol, A: Vac, Surf Films 6:1730–1732. https://doi.org/10.1116/1.575280
doi: 10.1116/1.575280
Kubota K, Kobayashi Y, Fujimoto K (1989) Preparation and properties of III-V nitride thin films. J Appl Phys 66:2984–2988. https://doi.org/10.1063/1.344181
doi: 10.1063/1.344181
Wakahara A, Tsuchiya T, Yoshida A (1990) Epitaxial layers of indium nitride by microwave-excited metalorganic vapor phase epitaxy. Vacuum 41:1071–1073. https://doi.org/10.1016/0042-207X(90)93870-O
doi: 10.1016/0042-207X(90)93870-O
Natarajan B, Eltoukhy A, Greene J, Barr T (1980) Mechanisms of reactive sputtering of indium I: growth of InN in mixed Ar-N2 discharges. Thin Solid Films 69:201–216. https://doi.org/10.1016/0040-6090(80)90037-1
doi: 10.1016/0040-6090(80)90037-1
(2002) Optical and electrical properties of InN grown by radio-frequency reactive sputtering. J Crystal Growth 241:165–70. https://doi.org/10.1016/S0022-0248(02)01155-7
Amirhoseiny M, Hassan Z, Ng S (2014) Photoluminescence spectra of nitrogen-rich InN thin films grown on Si (110) and photoelectrochemical etched Si (110). Vacuum 101:217–220. https://doi.org/10.1016/j.vacuum.2013.08.017
doi: 10.1016/j.vacuum.2013.08.017
Zhang J, Peng W, Zhou Y, Xiang G, Liu Y, Zhang J et al (2024) Study on the preparation of InN films under different substrates and nitrogen-argon flow ratios and the effect of operating temperature on carrier transport in p-NiO/n-InN heterojunctions. Vacuum 220:112805. https://doi.org/10.1016/j.vacuum.2023.112805
doi: 10.1016/j.vacuum.2023.112805
Bashir U, Hassan Z, Ahmed NM (2017) A comparative study of InN growth on quartz, silicon, C-sapphire and bulk GaN substrates by RF magnetron sputtering. J Mater Sci: Mater Electron 28:9228–9236. https://doi.org/10.1007/s10854-017-6657-4
doi: 10.1007/s10854-017-6657-4
He Z, Huang H, Huang J, Xiang G, Zhang J, Yue Z et al (2024) Study on the effect of sputtering pressure on the physical properties of InN films on ITO substrate and the dependence of carrier transport characteristics of Li-doped p-NiO/n-InN heterojunction on the environmental temperature. Vacuum 220:112833. https://doi.org/10.1016/j.vacuum.2023.112833
doi: 10.1016/j.vacuum.2023.112833
Naoi H, Matsuda F, Araki T, Suzuki A, Nanishi Y (2004) The effect of substrate polarity on the growth of InN by RF-MBE. J Cryst Growth 269:155–161. https://doi.org/10.1016/j.jcrysgro.2004.05.044
doi: 10.1016/j.jcrysgro.2004.05.044
Lebedev V, Cimalla V, Morales F, Lozano J, Gonzalez D, Mauder C et al (2007) Effect of island coalescence on structural and electrical properties of InN thin films. J Cryst Growth 300:50–56. https://doi.org/10.1016/j.jcrysgro.2007.02.003
doi: 10.1016/j.jcrysgro.2007.02.003
Chen HJ-Y, Su Y-Z, Yang D-L, Huang T-W, Yu S (2017) Effects of substrate pre-nitridation and post-nitridation processes on InN quantum dots with crystallinity by droplet epitaxy. Surf Coat Technol 324:491–497. https://doi.org/10.1016/j.surfcoat.2017.06.025
doi: 10.1016/j.surfcoat.2017.06.025
Talwar DN, Liao YC, Chen LC, Chen KH, Feng ZC (2014) Optical properties of plasma-assisted molecular beam epitaxy grown InN/sapphire. Opt Mater 37:1–4. https://doi.org/10.1016/j.optmat.2014.04.012
doi: 10.1016/j.optmat.2014.04.012
Wang J, Zhang H-Y (2017) Structure and photoluminescence properties of InN films grown on porous silicon by MOCVD. Optoelectron Lett 13:214–216. https://doi.org/10.1007/s11801-017-7013-x
doi: 10.1007/s11801-017-7013-x
Prabakaran K, Ramesh R, Arivazhagan P, Jayasakthi M, Sanjay S, Surender S et al (2022) Effect of spiral-like islands on structural quality, optical and electrical performance of InGaN/GaN heterostructures grown by metal organic chemical vapour deposition. Mater Sci Semicond Process 142:106479. https://doi.org/10.1016/j.mssp.2022.106479
doi: 10.1016/j.mssp.2022.106479
Mickevičius J, Dobrovolskas D, Steponavičius T, Malinauskas T, Kolenda M, Kadys A et al (2018) Engineering of InN epilayers by repeated deposition of ultrathin layers in pulsed MOCVD growth. Appl Surf Sci 427:1027–1032. https://doi.org/10.1016/j.apsusc.2017.09.074
doi: 10.1016/j.apsusc.2017.09.074
Su P, Zheng G, Zhang H, Sun Y, Zuo R, Liu L (2024) A CFD study of the gas reaction path in growth of InN films in metal–organic chemical vapor deposition. J Cryst Growth 626:127464. https://doi.org/10.1016/j.jcrysgro.2023.127464
doi: 10.1016/j.jcrysgro.2023.127464
Huang Y-K, Liu C-P, Lai Y-L, Wang C-Y, Lai Y-F, Chung H-C (2007) Structural and optical properties of cubic-InN quantum dots prepared by ion implantation in Si (100) substrate. Appl Phys Lett 91:091921. https://doi.org/10.1063/1.2766653
doi: 10.1063/1.2766653
Lacroix B, Chauvat M, Ruterana P, Lorenz K, Alves E, Syrkin A (2011) The high sensitivity of InN under rare earth ion implantation at medium range energy. J Phys D Appl Phys 44:295402. https://doi.org/10.1088/0022-3727/44/29/295402
doi: 10.1088/0022-3727/44/29/295402
Graine R, Chemam R, Gasmi FZ, Muller D, Schmerber G (2015) Structural and phonon properties of InN synthesized by ion implantation in SiO2. Thin Solid Films 595:108–112. https://doi.org/10.1016/j.tsf.2015.10.060
doi: 10.1016/j.tsf.2015.10.060
Doolittle LR (1986) A semiautomatic algorithm for rutherford backscattering analysis. Nucl Instrum Methods Phys Res, Sect B 15:227–231. https://doi.org/10.1016/0168-583X(86)90291-0
doi: 10.1016/0168-583X(86)90291-0
Ziegler, J.F., Biersack, J.P. 1985 The stopping and range of ions in matter. In: Treatise on heavy-ion science: volume 6: astrophysics, chemistry, and condensed matter, Springer 93–129 https://doi.org/10.1007/978-1-4615-8103-1_3 .
Patterson A (1939) The Scherrer formula for X-ray particle size determination. Phys Rev 56:978. https://doi.org/10.1103/PhysRev.56.978
doi: 10.1103/PhysRev.56.978
Ungar, T. Warren-Averbach Applications. Industrial applications of X-ray diffraction. 2000, 847–67
Magalhães S, Cabaço J, Mateus R, Faye DN, Pereira D, Peres M et al (2021) Crystal mosaicity determined by a novel layer deconvolution Williamson-Hall method. CrystEngComm 23:2048–2062. https://doi.org/10.1039/D0CE01669A
doi: 10.1039/D0CE01669A
Magalhães S, Cabaço J, Araujo J, Alves E (2021) Multiple reflection optimization package for x-ray diffraction. CrystEngComm 23:3308–3318. https://doi.org/10.1039/D1CE00204J
doi: 10.1039/D1CE00204J
Prabhu Y, Rao KV, Kumar VSS, Kumari BS (2013) X-ray analysis of Fe doped ZnO nanoparticles by Williamson-Hall and size-strain plot methods. Int J Eng Adv Technol 2:268–274
Speakman, S.A. Estimating crystallite size using XRD. MIT Center for Materials Science and Engineering. 2014, 2, 03–8 http://prism.mit.edu/xray
Yeh CY, Lu ZW, Froyen S, Zunger A (1992) Zinc-blende-wurtzite polytypism in semiconductors. Phys Rev B 46:10086–10097. https://doi.org/10.1103/PhysRevB.46.10086
doi: 10.1103/PhysRevB.46.10086
Goldschmidt, V.M., Barth, T., Lunge, G. Isomorphie und Polymorphie der Sesquioxyde, die Lanthaniden-Kontraktion und ihre Konsequenzen, J. Dybwad, 1925
Degen T, Sadki M, Bron E, König U, Nénert G (2014) The highscore suite Powder diffraction. Powder Diffraction 29:S13–S18. https://doi.org/10.1017/S0885715614000840
doi: 10.1017/S0885715614000840
Williamson G, Hall W (1953) X-ray line broadening from filed aluminium and wolfram. Acta Metall 1:22–31. https://doi.org/10.1016/0001-6160(53)90006-6
doi: 10.1016/0001-6160(53)90006-6
Rogers K, Daniels P (2002) An X-ray diffraction study of the effects of heat treatment on bone mineral microstructure. Biomaterials 23:2577–2585. https://doi.org/10.1016/S0142-9612(01)00395-7
doi: 10.1016/S0142-9612(01)00395-7
pubmed: 12033606
Tauc J, Menth A (1972) States in the gap. J Non-Cryst Solids 8:569–585. https://doi.org/10.1016/0022-3093(72)90194-9
doi: 10.1016/0022-3093(72)90194-9
Brus L (1986) Electronic wave-functions in semiconductor clusters - experiment and theory. J Phys Chem 90:2555–2560. https://doi.org/10.1021/j100403a003
doi: 10.1021/j100403a003
Zhang Z, Xiang G, Zhang J, Zhang J, Liu Y, Peng W et al (2021) Preparation of InN films at different substrate temperatures and the effect of operating temperatures on the carrier transmission characteristics of p-NiO/n-InN heterojunction. Vacuum 194:110583. https://doi.org/10.1016/j.vacuum.2021.110583
doi: 10.1016/j.vacuum.2021.110583
Mann AK, Varandani D, Mehta BR, Malhotra LK Conducting atomic force microscopy studies of In N nanocomposite layers having conducting and nonconducting phases. J Appl Phys 2007 101 https://doi.org/10.1063/1.2718289
Nagata S, Yamamoto S, Inouye A, Tsuchiya B, Toh K, Shikama T (2007) Luminescence characteristics and defect formation in silica glasses under H and He ion irradiation. J Nucl Mater 367:1009–1013. https://doi.org/10.1016/j.jnucmat.2007.03.169
doi: 10.1016/j.jnucmat.2007.03.169
Skuja L, Streletsky A, Pakovich A (1984) A new intrinsic defect in amorphous SiO 2: twofold coordinated silicon. Solid State Commun 50:1069–1072. https://doi.org/10.1016/0038-1098(84)90290-4
doi: 10.1016/0038-1098(84)90290-4
Tohmon R, Mizuno H, Ohki Y, Sasagane K, Nagasawa K, Hama Y (1989) Correlation of the 5.0- and 7.6-eV absorption bands in SiO2 with oxygen vacancy. Phys Rev B 39:1337–45. https://doi.org/10.1103/PhysRevB.39.1337
doi: 10.1103/PhysRevB.39.1337
Leone M, Agnello S, Boscaino R, Cannas M, Gelardi F Optical absorption, luminescence, and ESR spectral properties of point defects in silica. In: Silicon-Based Material and Devices, Elsevier, 2001, pp. 1–50 https://doi.org/10.1016/B978-012513909-0/50012-X .
Skuja L (1992) Isoelectronic series of twofold coordinated Si, Ge, and Sn atoms in glassy SiO2: a luminescence study. J Non-Cryst Solids 149:77–95. https://doi.org/10.1016/0022-3093(92)90056-P
doi: 10.1016/0022-3093(92)90056-P
King P, Veal TD, Fuchs F, Wang CY, Payne D, Bourlange A et al (2009) Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In 2 O 3. Phys Rev B 79:205211. https://doi.org/10.1103/PhysRevB.79.205211
doi: 10.1103/PhysRevB.79.205211
Islam M, Nuruzzaman M, Roy R, Hossain J, Khan K (2015) Investigation of electrical and optical transport properties of N-type indium oxide thin film. Am J Eng Res 4:62–7 ( http://www.ajer.org/ )
Ramos L, Furthmüller J, Bechstedt F (2004) Quasiparticle band structures and optical spectra of β-cristobalite SiO 2. Phys Rev B 69:085102. https://doi.org/10.1103/PhysRevB.69.085102
doi: 10.1103/PhysRevB.69.085102
Sevik C, Bulutay C (2007) Theoretical study of the insulating oxides and nitrides: SiO
doi: 10.1007/s10853-007-1526-9
Kuball M, Pomeroy J, Wintrebert-Fouquet M, Butcher K, Lu H, Schaff W et al (2005) Resonant Raman spectroscopy on InN. Physica Status Solidi (a) 202:763–7. https://doi.org/10.1002/pssa.200461305
doi: 10.1002/pssa.200461305
Alexandrov D, Butcher KSA, Wintrebert-Fouquet M (2004) Absorption and photoluminescence features caused by defects in InN. J Cryst Growth 269:77–86. https://doi.org/10.1016/j.jcrysgro.2004.05.036
doi: 10.1016/j.jcrysgro.2004.05.036
Dimiter Alexandrov KS, Butcher A, Wintrebert-Fouquet Marie (2004) Energy band gaps of InN containing oxygen and of the In x Al 1–x N interface layer formed during InN film growth. J Vac Sci Technol 22:954. https://doi.org/10.1116/1.1633767
doi: 10.1116/1.1633767
Butcher KSA, InN TLT (2005) latest development and a review of the band-gap controversy. Superlattices Microstruct 38:1–37. https://doi.org/10.1016/j.spmi.2005.03.004
doi: 10.1016/j.spmi.2005.03.004
Butcher K, Hirshy H, Perks RM, Wintrebert-Fouquet M, Chen PPT (2006) Stoichiometry effects and the Moss-Burstein effect for InN. Physica Status Solidi (a). 203:66–74. https://doi.org/10.1103/PhysRev.93.632
doi: 10.1103/PhysRev.93.632
González D, Lozano JG, Herrera M, Morales FM, Ruffenach S, Briot O, García R (2010) Phase mapping of aging process in InN nanostructures: oxygen incorporation and the role of the zincblende phase. Nanotechnology 21:185706. https://doi.org/10.1088/0957-4484/21/18/185706