• Bulletin of the Korean Chemical Society
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• v.17 no.5
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• pp.452-457
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• 1996

The effects caused by the ionization on the electronic structure and geometry on C60 are studied by the modified Su-Schriffer-Heeger (SSH) model Hamiltonian. After the ionization of C60, the bond structure of the singly charged C60 cation is deformed from Ih symmetry of the neutral C60 to D5d, C1, and C2, which is dependent upon the change of the electron-phonon coupling strength. The electronic structure of the C60+ cation ground state undergoes Jahn-Teller distortion in the weak electron-phonon coupling region, while self-localized states occur in the intermediate electron-phonon region, but delocalized electronic states appear again in the strong electron-phonon region. In the realistic strength of the electron-phonon coupling in C60, the bond structure of C60+ shows the layer structure of the bond distortion and a polaron-like state is formed.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.4-5
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• 2010

The surface phonon is defined as a coherent vibrational excitation of surface atoms propagating along the surface. It is characterized by a phonon dispersion curves, which were extensively studied in 1990's using helium atom scattering and high-resolution electron-energy-loss spectroscopy (HREELS)[1].The understanding is mainly based on the theoretical framework of a classical bond model or cluster calculations. The recent sample preparation and first principles calculations open the naval way to deep insight for surface phonon problems. The surface phonon dispersion on the hydrogen-terminated Si(111)-($1{\times}1$) surface [H:Si(111)] is the typical system and already reported experimentally [2] and theoretically [3], although the understandingis incomplete. The sample contaminated by the oxygen atoms on the surface and the calculations were also classical. In this study, firstly, we have prepared an ultra-clean H:Si(111) surface [4] and measured the surface phonon dispersion curvesusing HREELS. Secondly, we have performed first-principles density functional calculations with the projector augmented wave functionals, as implemented in VASP, using generalized gradient approximations. We used aslab of six silicon layers and both top and bottom surfaces were terminated with hydrogen atoms. Finally, we have compared with the surface phonon dispersion of deuterium-terminatedSi(111)-($1{\times}1$) surface[5] and led to our conclusions. The Si-H stretching and the bending modes are observed at 258.5 and 78.2 meV, respectively. These energies are the same as the previously reported values [2], but the energy-loss peaks at the lower energy regions are dramatically shifted. Through this combination study, we have formulated the procedure of preparing ultra-clean H:Si(111)/D:Si(111), which was confirmed by HREELS vibrational analysis. The Si surface will be utilized for further nano-physics research as well as for the materials for nano-fubrication.

• 한국초전도학회:학술대회논문집
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• v.13
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• pp.12-12
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• 2003

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.06a
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• pp.45-45
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• 2009

우리는 ZnO Template를 사용한 열기상법을 이용하여 수직 배양한 ZnO nanorods와 ZnO Nanopencils를 성장하였고, Dependency temperature Photoluminescence(PL)의 분석을 통하여 광학적 특성에 대해 분석을 하였다. ZnO 나노구조는 100K 이하의 온도에서 donor-bound exciton가 dominant하고, 100K 이상의 온도에서는 free exciton과 그들의 phonon-replica emission이 dominant한 것을 알 수 있었다. 하지만, ZnO nanorods와 nanopencils은 다른 exciton-phonon coupling의 strength에 의한 surface defects에 의해 excitonic emissions의 다른 거동을 보이는 것을 알았다. 이것으로 인해 상온 PL에서 ZnO nanopencil은 nanorods에 비해 52meV의 red shift를 보였다.

• Journal of the Korean Magnetic Resonance Society
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• v.20 no.4
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• pp.109-113
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• 2016

Resonance frequencies from the $^{113}Cd$ and $^{133}Cs$ nuclear magnetic resonance (NMR) spectra for the $CsCdBr_3$ single crystal were measured at varying temperatures by the static NMR method. The temperature-dependent changes of these frequencies are related to the changing structural geometry of the ${CdBr_6}^{4-}$ units, which affects the environment of $^{133}Cs$. The spin-lattice relaxation rates ($1/T_1$) for the $^{113}Cd$ and $^{133}Cs$ nuclei were measured in order to obtain detailed information about the dynamics of $CsCdBr_3$ crystals. The dominant relaxation mechanisms for $^{113}Cd$ and $^{133}Cs$ nuclei are direct single-phonon and Raman spin-phonon processes, respectively.

• Proceedings of the Optical Society of Korea Conference
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• 2001.02a
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• pp.54-55
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• 2001

Recently, there has been much interests in InGaN/GaN multiple-quantum-well (MQW) structures due to their applicability as optoelectronic devices such as light-emitting diodes (LEDs) and laser diodes [1]. Their ultrafast and physical properties are also of significant interests. Anomalously large acoustic phonon oscillations have been observed using ultrafast lasers in InGaN MQWs [2]. In this study, we have peformed femtosecond pump-probe experiments in the reflection geometry on 5 periods InGaN/GaN MQW LED structure with well width of 20$\AA$ and barrier width of 100$\AA$ at room temperature. (omitted)

• Bulletin of the Korean Chemical Society
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• v.12 no.4
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• pp.387-392
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• 1991

We present a theoretical investigation of the inelastic atom-surface phonon scattering for a model He-Si(100) system by the classical trajectory-quantum forced oscillator(DECENT) method. Single and multi-phonon transition probabilities of normal modes are calculated for several initial beam orientations and several initial kinetic energies. In order to understand surface structure effects, the calculation has been done on both reconstructed and unreconstructed surfaces of the He/Si(100) system. The origin of mode specificity for energy transfer is discussed. The contribution of one, two, and multi-phonon events to the total energy transfer between 0 and 600 K is also given.

• ETRI Journal
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• v.6 no.4
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• pp.55-58
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• 1984

세라믹 재료의 기판에의 응용을 위한 열 전도도의 특성이 여러가지 영향하에서 고찰되어졌다. 실온에서의 열 전도도는 주로 phonon에 의해 결정되며 phonon conductivity를 한정하는 몇 가지 요소의 제어를 통하여 열 전도도의 향상을 기대할 수 있다.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.425.1-425.1
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• 2014

Thermal transport in nanomaterials is not only scientifically interesting but also technological important for various future electronic, bio, and energy device applications. Among the various computation approaches to investigate lattice thermal transport phenomena in nanoscale, the atomistic nonequilibrium Green's function approach based on first-principles density functional theory calculations appeared as a promising method given the continued miniaturization of devices and the difficulty of developing classical force constants for novel nanoscale interfaces. Among the nanometerials, carbon atomic chains, namely the cumulene (all-doulble bonds, ${\cdots}C=C=C=C{\cdots}$) and polyyne (alternation of single and triple bonds, ${\cdots}C{\equiv}C-C{\equiv}C{\cdots}$) can be considered as the extream cases of interconnction materials for nanodevices. After the discovery and realization of carbon atomic chains, their electronic transport properties have been widely studied. For the thermal transport properties, however, there have been few literatures for this simple linear chain system. In this work, we first report on the development of a non-equilibrium Green's function theory-based computational tool for atomistic thermal transport calculations of nanojunctions. Using the developed tool, we investigated phonon dispersion and transmission properties of polyethylene (${\cdots}CH2-CH2-CH2-CH2{\cdots}$) and polyene (${\cdots}CH-CH-CH-CH{\cdots}$) structures as well as the cumulene and polyyne. The resulting phonon dispersion from polyethylene and polyene showed agreement with previous results. Compared to the cumulene, the gap was found near the ${\Gamma}$ point of the phonon dispersion of polyyne as the prediction of Peierls distortion, and this feature was reflected in the phonon transmission of polyyne. We also investigated the range of interatomic force interactions with increase in the size of the simulation system to check the convergence criteria. Compared to polyethylene and polyene, polyyne and cumulene showed spatially long-ranged force interactions. This is reflected on the differences in phonon transport caused by the delicate differences in electronic structure.

• Journal of Radiation Protection and Research
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• v.29 no.4
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• pp.251-256
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• 2004

CsI(Tl), $CdWO_4(CWO),\;Bi_4Ge_3O_{12}(BGO)\;and\;Gd_2SiO_5:Ce(GSO)$ scintillators were studied to manufacture a phoswich detector. The maximum wavelengths of the CsI(Tl), CWO, BGO and GSO scintillators are 550 nm, 475 nm, 490 nm and 440 nm for the radioluminescence, and the absolute light outputs of the CsI(Tl), CWO, BGO and GSO scintillators are 54890 phonon/MeV, 17762 phonon/MeV, 8322 phonon/MeV and 8932 phonon/MeV with a neutral filter, and the decay time of the CsI(Tl), CWO, BGO and GSO scintillators is $1.3{\mu}s,\;8.17{\mu}s$, 213 ns and 37 ns by a single photon method. The phoswich detector which was manufactured with plastic and CsI(Tl) scintillators could separate the ${\beta}$ particle and ${\gamma}$ ray. The phoswich detector could also measure the pulse height spectra of the ${\beta}$ particle and ${\gamma}$ ray by a PSD method.