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  • 1
    Online Resource
    Online Resource
    Improved electric contact of recessed source and drain electrodes for sol–gel-based thin-film transistors consisting of amorphous ZrO2 and IGZO fabricated by microwave-annealing
    AIP Publishing ; 2022
    In:  Applied Physics Letters Vol. 120, No. 15 ( 2022-04-11)
    Details
    In: Applied Physics Letters, AIP Publishing, Vol. 120, No. 15 ( 2022-04-11)
    Abstract: We investigate the effects of recessed source/drain (S/D) electrodes on the device performance of microwave-induced metal-oxide thin-film transistors (oxide-TFTs) by analyzing their contact resistances. High-performance top-gate-bottom-contact oxide-TFTs consisting of sol–gel-based high-k zirconium dioxide dielectric (ZrO2) and indium-gallium-zinc oxide (IGZO) semiconducting films were developed by employing microwave annealing. Vibration energy induced microwave annealing even at a low temperature (∼120 °C) with a short process time (10 min), which is sufficient to form dense metal–oxygen bonding while suppressing oxygen vacancies as defect states, resulted in high-quality sol–gel-based amorphous ZrO2 and IGZO films. The low-voltage operating oxide-TFTs with recessed S/D electrodes exhibited higher field-effect mobility (∼7.0 cm2 V−1 s−1) than those with elevated S/D electrodes (∼0.15 cm2 V−1 s−1). This result is attributed to the conformable deposition of the channel layer on the planar surface of S/D electrodes, leading to the improved interfacial characteristics. Relatively low effective contact resistance (∼79.7 Ω cm), which was extrapolated from a plot of the width-normalized resistance as a function of the channel length using a transmission line method, in oxide-TFTs with recessed S/D electrodes, is compared to that (∼1480.6 Ω cm) of elevated S/D electrodes. This was in good agreement with the Ohmic contact behavior contact where the low charge injection barrier improved charge transport.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    URL: Article
    DOI: 10.1063/5.0086833
    RVK:
    UA 1000
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2022
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
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  • 2
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    Online Resource
    Unitary quantum time evolution by iterative Lanczos reduction
    AIP Publishing ; 1986
    In:  The Journal of Chemical Physics Vol. 85, No. 10 ( 1986-11-15), p. 5870-5876
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 85, No. 10 ( 1986-11-15), p. 5870-5876
    Abstract: A general unitary time evolution method for wave packets defined on a fixed ℒ2 basis is developed. It is based on the Lanczos reduction of the full N×N Hamiltonian to a p-dimensional subspace defined by the application of H p−1 times to the initial vector. Unitary time evolution in the subspace is determined by exp{−iHpt}, retaining accuracy for a time interval τ, which can be estimated from the Lanczos reduced Hamiltonian Hp. The process is then iterated for additional time intervals. Although accurate results over long times can be obtained, the process is most efficient for large systems over short times. Time evolution employing this method in one- (unbounded) and two-dimensional (bounded) potentials are done as examples using a distributed Gaussian basis. The one-dimensional application is to direct evaluation of a thermal rate constant for the one-dimensional Eckart barrier.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.451548
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1986
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 3
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    Online Resource
    Quantum thermal rate constants for the exchange reactions of hydrogen isotopes: D+H2
    AIP Publishing ; 1991
    In:  The Journal of Chemical Physics Vol. 94, No. 4 ( 1991-02-15), p. 2946-2955
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 94, No. 4 ( 1991-02-15), p. 2946-2955
    Abstract: Accurate thermal rate constants for the D+H2 reactions are determined for the Liu–Siegbahn–Truhlar–Horowitz potential energy surface over the temperature range 300–1500 K. We evaluate the rate constants via the quantum flux–flux autocorrelation function formulation of Miller [J. Chem. Phys. 61, 1823 (1974)] using the adiabatically adjusted principal axis hyperspherical coordinates of Pack [Chem. Phys. Lett. 108, 333 (1984)] and a symmetry adapted discrete variable representation used earlier for the H+H2 reaction [T. J. Park and J. C. Light, J. Chem. Phys. 91, 974 (1989)]. The initial L2 basis of ∼15 000 functions is sequentially diagonalized and truncated, with a final reduction to ∼420 accurate eigenvectors of the symmetry adapted (C2v) Hamiltonians for J=0. Direct products of these functions with symmetry adapted rotation functions are then used as the basis for the J & gt;0 Hamiltonians. Nuclear spin symmetries are also included. For J & gt;0, the individual J, KJ blocks of the Hamiltonian are diagonalized, the Coriolis coupling is neglected, and the KJ±2 coupling is included by perturbation theory. The thermal rate constants are evaluated for each total angular momentum from the flux–flux autocorrelation function. Angular momenta up to J=25 are required to converge the rate constants at 1500 K to ∼5%. Thermal rate constants as functions of T (and J) are presented for the D+H2 reaction and compared with experiment and other calculations. Agreement with experiment for D+H2 is excellent up to about 1000 K and remains within a factor of 2 of the experimental rate constant up to 1500 K. Thus agreement of the rates over more than four orders of magnitude is quite reasonable.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.459817
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1991
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 4
    Online Resource
    Online Resource
    Eigensolution of a singular operator δ(x)d/dx+d/dxδ(x)
    AIP Publishing ; 1997
    In:  The Journal of Chemical Physics Vol. 107, No. 2 ( 1997-07-08), p. 671-671
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 107, No. 2 ( 1997-07-08), p. 671-671
    Abstract: The title operator can often be found in the flux operator which has been first introduced by Miller. From the numerical implementations, the flux operator is known to have such peculiar properties as follows: 1) it has two nonzero eigenvalues of same magnitude with opposite signs and all other eigenvalues being zero; 2) eigenvectors with nonzero eigenvalues are localized. In this work we have analytically solved the eigenvalue equation for the operator in the title whose eigensolutions reveal the properties mentioned above.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.474429
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1997
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 5
    Online Resource
    Online Resource
    Oscillating Franck–Condon factor in the time-relaxed harmonic oscillator
    AIP Publishing ; 1996
    In:  The Journal of Chemical Physics Vol. 104, No. 22 ( 1996-06-08), p. 9259-9260
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 104, No. 22 ( 1996-06-08), p. 9259-9260
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.471715
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1996
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 6
    Online Resource
    Online Resource
    Quantum flux operators and thermal rate constant: Collinear H+H2
    AIP Publishing ; 1988
    In:  The Journal of Chemical Physics Vol. 88, No. 8 ( 1988-04-15), p. 4897-4912
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 88, No. 8 ( 1988-04-15), p. 4897-4912
    Abstract: The exact quantum formulation of the thermal rate constant, k(T), given by Miller et al. [W. H. Miller, J. Chem. Phys. 61, 1823 (1974); W. H. Miller, S. D. Schwartz, and J. W. Tromp, ibid. 79, 4889 (1983)] is evaluated in a localized L2 basis (distributed Gaussian basis) for two model problems. In considering the accuracy, feasibility, and computational efficiency of this approach, we demonstrate novel properties of the flux operator, namely the paucity of nonzero eigenvalues. This contributes greatly to the efficiency of the L2 approach. Finally, we show that Lanczos reduction can be used effectively for determining the thermal flux projectors and their time evolution as is required for evaluation of k(T).
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.454702
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1988
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 7
    Online Resource
    Online Resource
    Quantum calculation of thermal rate constants for the H+D2 reaction
    AIP Publishing ; 1992
    In:  The Journal of Chemical Physics Vol. 96, No. 12 ( 1992-06-15), p. 8853-8862
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 96, No. 12 ( 1992-06-15), p. 8853-8862
    Abstract: Thermal rate constants for the H+D2 reaction on the LSTH potential-energy surface are determined quantum mechanically over T=300–1500 K using the quantum flux–flux autocorrelation function of Miller [J. Chem. Phys. 61, 1823 (1974)]. Following earlier works [T. J. Park and J. C. Light, J. Chem. Phys. 91, 974 (1989); T. J. Park and J. C. Light, ibid. 94, 2946 (1991)] , we use the adiabatically adjusted principal axis hyperspherical coordinates of Pack [Chem. Phys. Lett. 108, 333 (1984)] and a direct product C2v symmetry-adapted discrete variable representation to evaluate the Hamiltonian and flux. The initial representation of the J=0 Hamiltonian in the ℒ2 basis of ∼14 000 functions is sequentially diagonalized and truncated to yield ∼600 accurate eigenvalues and eigenvectors for each symmetry species block. The J & gt;0 Hamiltonian is evaluated in the direct product basis of truncated J=0 eigenvectors and parity decoupled Wigner rotation functions. Diagonalization of the J & gt;0 Hamiltonian is performed separately for each KJ block by neglecting Coriolis coupling and approximating K coupling by perturbation. Both eigenvalues and eigenvectors are corrected by the perturbation. Thermal rate constants for each J, kJ(T), are then determined by the flux–flux autocorrelation function considering nuclear spins. Due to the eigenvector corrections, both parity calculations are required to determine kJ(T). Overall thermal rate constants k(T) are obtained by summing kJ(T) over J with the weight of 2J+1 up to J=30. The results show good agreement with experiments.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.462242
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1992
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 8
    Online Resource
    Online Resource
    Accurate quantum thermal rate constants for the three-dimensional H+H2 reaction
    AIP Publishing ; 1989
    In:  The Journal of Chemical Physics Vol. 91, No. 2 ( 1989-07-15), p. 974-988
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 91, No. 2 ( 1989-07-15), p. 974-988
    Abstract: The rate constants for the three-dimensional H+H2 reaction on the Liu–Siegbahn–Truhlar–Horowitz (LSTH) surface are calculated using Pack–Parker hyperspherical (APH) coordinates and a C2v symmetry adapted direct product discrete variable representation (DVR). The C2v symmetry decomposition and the parity decoupling on the basis are performed for the internal coordinate χ. The symmetry decomposition results in a block diagonal representation of the flux and Hamiltonian operators. The multisurface flux is introduced to represent the multichannel reactive flux. The eigenvalues and eigenvectors of the J=0 internal Hamiltonian are obtained by sequential diagonalization and truncation. The individual symmetry blocks of the flux operator are propagated by the corresponding blocks of the Hamiltonian, and the J=0 rate constant k0(T) is obtained as a sum of the rate constants calculated for each block. k0(T) is compared with the exact k0(T) obtained from thermal averaging of the J=0 reaction probabilities; the errors are within 5%–20% up to T=1500 K. The sequential diagonalization–truncation method reduces the size of the Hamiltonian greatly, but the resulting Hamiltonian matrix still describes the time evolution very accurately. For the J≠0 rate constant calculations, the truncated internal Hamiltonian eigenvector basis is used to construct reduced (JKJ) blocks of the Hamiltonian. The individual (JKJ) blocks are diagonalized neglecting Coriolis coupling and treating the off-diagonal KJ±2 couplings by second order perturbation theory. The full wave function is parity decoupled. The rate constant is obtained as a sum over J of (2J+1)kJ(T). The time evolution of the flux for J≠0 is again very accurately described to give a well converged rate constant.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.457149
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1989
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 9
    Online Resource
    Online Resource
    Surface wettability control on zircaloy-4 by nanosecond Nd:YAG laser with beam homogenizer
    AIP Publishing ; 2022
    In:  AIP Advances Vol. 12, No. 6 ( 2022-06-01)
    Details
    In: AIP Advances, AIP Publishing, Vol. 12, No. 6 ( 2022-06-01)
    Abstract: We introduce the laser-induced surface processing (LISP) method that imparts hydrophilicity and hydrophobicity using a Nd:YAG nanosecond laser, especially the high-fluence (HF) condition for fast processing and the low-fluence (LF) condition to control the surface wettability. A prime example of HF processing is laser shock peening, where we show the potential to achieve both strength enhancement and wettability in materials. This could be a new advantageous feature in areas such as reactor maintenance. We combined a beam homogenizer with LISP to increase processing efficiency. The beam homogenizer realizes a uniform fluorescence distribution in the beam area and, at the same time, makes the beam rectangular to increase work efficiency. The maximum contact angle was 123.8° for the zircaloy-4 specimen through HF processing with the beam homogenizer. We also showed that nanosecond laser-induced periodic surface structures could be generated by combining LF processing with specific conditions of a beam homogenizer. This could produce a superhydrophobic surface with contact angles up to 166° on zircaloy-4 or achieve a near superhydrophilic surface with a contact angle of 17.9° depending on the processing conditions.
    Type of Medium: Online Resource
    ISSN: 2158-3226
    URL: Article
    DOI: 10.1063/5.0088263
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2022
    detail.hit.zdb_id: 2583909-3
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  • 10
    Online Resource
    Online Resource
    Effect of Mg doping in the barrier of InGaN/GaN multiple quantum well on optical power of light-emitting diodes
    AIP Publishing ; 2010
    In:  Applied Physics Letters Vol. 96, No. 5 ( 2010-02-01)
    Details
    In: Applied Physics Letters, AIP Publishing, Vol. 96, No. 5 ( 2010-02-01)
    Abstract: We report on Mg doping in the barrier layers of InGaN/GaN multiple quantum wells (MQWs) and its effect on the properties of light-emitting diodes (LEDs). Mg doping in the barriers of MQWs enhances photoluminescence intensity, thermal stability, and internal quantum efficiency of LEDs. The light output power of LEDs with Mg-doped MQW barriers is higher by 19% and 27% at 20 and 200 mA, respectively, than that of LEDs with undoped MQW barriers. The improvement in output power is attributed to the enhanced hole injection to well layers in MQWs with Mg-doped barriers.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    URL: Article
    DOI: 10.1063/1.3302458
    RVK:
    UA 1000
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2010
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
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