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    Item type:Publication,
    Hybrid Functional Calculation of Defects in Pseudo-binary Indium Oxynitride
    (2016-06-01)
    Amnuyswat, Kittiphong
    ;
    Thanomngam, Pittiporn
    Indium oxynitride (InO<inf>x</inf>N<inf>y</inf>) is an attractive material that shows multi-functionality in electronic and optical applications due to its wide range tunable band gap. However there were only few studies available for this interesting material, especially on defect structure. In this work, first-principles calculation based on Density Functional Theory (DFT) within the Heys, Scuseria and Ernzerhof (HSE) hybrid functional for exchange-correlation energy was performed to investigate atomic structure, electronic properties and role of oxygen (O) defects occurred by means of their defect formation energies. The defect formation energies of both oxygen defects were compared with all possible native point defects in indium nitride. Our results revealed that O atom prefers to substitute in N site since it has lowest formation energy for all equilibrium crystal growth conditions. This result is consistent with the experimental observations by RF magnetron sputtering method. Moreover, the energy gap of indium nitride calculated by HSE method is 0.710 eV. The HSE calculation showed that the O antisite slightly widening the indium nitride band gap to 0.766 eV while the N vacancy gives wider indium nitride band gap of 1.410 eV. The complex defects of N vacancy and O antisite were also performed and discussed.
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    X-ray absorption spectroscopy of indium nitride, indium oxide, and their alloys
    (2010-04-16)
    T-Thienprasert, Jiraroj
    ;
    Rujirawat, Saroj
    ;
    Nukeaw, Jiti
    ;
    Limpijumnong, Sukit
    To investigate the local structure of InN, In<inf>2</inf>O<inf>3</inf> and their alloys, synchrotron (In L<inf>3</inf>-edge) X-ray absorption near edge structures (XANES) of indium oxynitride samples with varied O contents are used in conjunction with first-principles calculations. A good agreement between the measured and simulated spectra is obtained. It is found that the spectra are sensitive to the coordination number of the In atoms, i.e., fourfold for InN-like structures and sixfold for In<inf>2</inf>O<inf>3</inf>-like structures. Moreover, the spectra are quite insensitive to the species (N or O) around In. The calculated band structures and density of states are also presented and discussed. © 2010 Elsevier B.V. All rights reserved.
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    Item type:Publication,
    Chemical characterization and electrical properties of indium oxynitride grown by reactive gas-timing RF magnetron sputtering
    (2010-02-05)
    Sungthong, A.
    ;
    Khomdet, P.
    ;
    Porntheeraphat, S.
    ;
    Hruanun, C.
    ;
    Poyai, A.
    This work investigates changes in the chemical composition of InON thin films, grown by reactive gas-timing rf magnetron sputtering with different O<inf>2</inf>:N<inf>2</inf> timing ratio characterized by Auger Electron Microscope (AES), Raman Spectroscopy which are well correlated with the electrical properties of films. The existence of nitrogen and oxygen in the deposited InON thin films was revealed by AES. Two Raman active optical phonons have been clearly observed and assigned to InN E<inf>1</inf>(TO) at ∼470 cm<sup>-1</sup> and E<inf>1</inf>(LO) at ∼570 cm<sup>-1</sup> and also shifted with different O<inf>2</inf>:N<inf>2</inf> timing ratio. The carrier mobility of InON thin films was decreased when the ratio of O<inf>2</inf>:N <inf>2</inf> timing is increased. © (2010) Trans Tech Publications.
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    Item type:Publication,
    An extreme change in structural and optical properties of indium oxynitride deposited by reactive gas-timing RF magnetron sputtering
    (2008-09-30)
    Sungthong, A.
    ;
    Porntheeraphat, S.
    ;
    Poyai, A.
    ;
    Nukeaw, J.
    The indium oxynitride (InON) films were achieved by reactive RF magnetron sputtering indium target which has the purity of 99.999% with a novel reactive gas-timing technique. The structural, optical and electrical properties in a series of polycrystalline InON films affected by gas-timing of reactive N <inf>2</inf> and O <inf>2</inf> gases introduced to the chamber were observed. The X-ray photoelectron spectroscopy revealed that the oxygen content in thin films that compounded to indium and nitrogen, which increased from 10% in indium nitride (InN) to 66% in indium oxide (In <inf>2</inf> O <inf>3</inf> ) films. The X-ray diffraction peaks show that the phase of deposited films changes from InN to InON and to In <inf>2</inf> O <inf>3</inf> with an increasing oxygen timing. The hexagonal structure of InN films with predominant (0 0 2) and (0 0 4) orientation was observed when pure nitrogen is only used as sputtering gas, while InON and In <inf>2</inf> O <inf>3</inf> seem to demonstrate body-center cubic polycrystalline structures depending on gas-timing. The surface morphologies investigated from atomic force microscope of deposited films with varying gas-timing of O <inf>2</inf> :N <inf>2</inf> show indifferent. The numerical algorithm method was used to define the optical bandgap of films from transmittance results. The increasing oxygen gas-timing affects extremely to the change of crystallinity phase from InN to InON and to In <inf>2</inf> O <inf>3</inf> , the increase of optical bandgap from 1.4 to 3.4 eV and the rise of sheet resistance from 15 Ω/□ to insulator. © 2008 Elsevier B.V. All rights reserved.