• Title/Summary/Keyword: Lattice constants

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Lattice Thermal Conductivity Calculation of Sb2Te3 using Molecular Dynamics Simulations

  • Jeong, Inki;Yoon, Young-Gui
    • Journal of the Korean Physical Society
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    • v.73 no.10
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    • pp.1541-1545
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    • 2018
  • We study lattice thermal conductivity of $Sb_2Te_3$ using molecular dynamics simulations. The interatomic potentials are fitted to reproduce total energy and elastic constants, and phonon properties calculated using the potentials are in reasonable agreement with first-principles calculations and experimental data. Our calculated lattice thermal conductivities of $Sb_2Te_3$ decrease with temperature from 150 K to 500 K. The in-plane lattice thermal conductivity of $Sb_2Te_3$ is higher than cross-plane lattice thermal conductivity of $Sb_2Te_3$, as in the case of $Bi_2Te_3$, which is consistent with the anisotropy of the elastic constants.

Magnetic Properties of La-doped YIG Films Prepared by LPE(Liquid Phase Epitaxy) (LPE 성장법으로 성장시킨 La을 첨가한 YIG 막의 자성특성)

  • 김동영;한진우;김명수;이상석
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.14 no.3
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    • pp.257-262
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    • 2001
  • Single crystalline films of La doped YIG(yttrium iron garnet) were grown by the liquid phase epitaxy. The lattice constants of films obtained by DCD(double crystalline diffractometer) measurement increased with increasing La contents in films. In particular, lattice constants of films grown wiht Y/La=20 solution were nearly same as those of GGG (gadolinium gallium garnet) substrate. The saturation magnetization measured with VSM (vibrating sample magnetometer) was about 1750Gauss which is the same as that of pure YIG irrespective of La contents in films. FMR(ferromagnetic resonance) linewidth of La doped YIG was smaller than that of pure YIG. Since appropriate La doping decreases the lattice mismatch between film and substrate, the FMR linewidth was Y/La=20 in this experiment.

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Effects of Temperature Coefficients for Dielectric Constants on Thermoreflectances and Thermal Responses of Metal Thin Films Exposed to Ultrashort Pulse Laser Beams

  • Seungho Park
    • International Journal of Air-Conditioning and Refrigeration
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    • v.10 no.1
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    • pp.1-9
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    • 2002
  • Effects of temperature coefficients fur dielectric constants on transient reflectances and thermal responses have been investigated for a metal(gold) thin-film during ultrashort pulse laser heating. Heating processes are simulated using the conventional conduction model(parabolic one-step, POS), the parabolic tow-step model(PTS), the hyperbolic two-step model(HTS). Results fro the HTS model are very similar to those from the PTS model, since the laser heating time in this study is considerably greater than the electron relaxation time. PTS and HTS models, however, result in completely different temperature profiles from those obtained by the POS model due to slow electron-lattice interactions compared to laser pulse duration. Transient reflectances are directly estimated from the linear relationship between electron temperature and complex dielectric constants, while conventional approaches assume that the change in reflectances is proportional to that in temperatuer. Reflectances at the front surface vary considerably for various dielectric constants, while those at the rear surface remain unchanged relatively.

Strain-Modulated Photoluminescence in Single-Layer $MoS_2$

  • Go, Taek-Yeong;Park, Gwang-Hui;Ryu, Sun-Min
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.02a
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    • pp.620-620
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    • 2013
  • When $MoS_2$ is thinned to single layer (1L), photoluminescence (PL) quantum yield drastically increases due to emergence of direct band gap. A recent theory predicts that the electronic structure of 1L $MoS_2$ is very sensitive to its lattice constants. We investigated the response of 1L $MoS_2$ to biaxial tensile strain using spatially resolved PL and Raman spectroscopy. Changes in the lattice constants were monitored by the Raman frequency of the in-plane ($E^1{_2g}$) mode. Systematic correlations between PL and Ramanspectral features, revealed in the preliminary results, will be further tested with samples on other substrates and against thermal stress. The results will also be discussed in regard to the theory which predicts that 1L $MoS_2$ becomes an indirect semiconductor at small tensile strain and turns metallic when further extended.

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A study on structural characteristics of Se thin film by fabrication temperature (제작 온도에 따른 Se박막의 구조적 특성에 관한 연구)

  • 정운조;조재철;박계춘;정해덕
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1996.05a
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    • pp.1.1-5
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    • 1996
  • Structural characteristics in Se thin film fabricated by EBE method had been studied. Se thin film was deposited with noncrystalline until substrate temperature of 100$^{\circ}C$. But Se film was grown with monoclinic at substrate temperature of over 150$^{\circ}C$. Lattice constants of it were as follow: a=12.76[${\AA}$], b=9.15[${\AA}$], c=10.4[${\AA}$]. Finally, after heat-treatment at 150$^{\circ}C$ for 15 min with substrate temperature of 100$^{\circ}C$, noncrystalline Se was proved to be hexagonal. Lattice constants of it were as follow: a=4.27[${\AA}$], c=4.83[${\AA}$].

Basic Studies On Uljin Pottery Stones (울진도석에 관한 기초적인 연구)

  • 오일환
    • Journal of the Korean Ceramic Society
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    • v.31 no.1
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    • pp.47-54
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    • 1994
  • The fundamental studies for exploit natural resources was investigated on Uljin pottery stones that estimated the amount of mineral deposits at 350 million tons. The results obtained are as follows; In the chemical composition of Uljin pottery stones the amount of Al2O3 are a little compared with other pottery stones and that of Na2O and K2O are a large. Fe2O3 content is lower than 0.3 wt%, thus whiteness of its is 83. The major minerals composition of Uljin pottery stones are quartz and feldspar mineral. The refractoriness (SK) of its is 14. Lattice constants of quartz in Uljin pottery stones are 4.8865 $\AA$ in a-axis and 5.3852 $\AA$ in c-axis. Lattice constants were expanded by HCl treatment and sintering. Microstructures of Uljin pottery stones are linked up with the crystal particles under 10 microns in size.

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Perovskite-Like Strontium Titanium Zirconium Oxide Solid Solutions Prepared at Atmospheric Pressure

  • Choy, Jin-Ho;Kim, Ha-Suck;Kwon, Young-Uk;Kim Chong Hee
    • Bulletin of the Korean Chemical Society
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    • v.6 no.6
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    • pp.344-347
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    • 1985
  • Perovskite type oxides of $SrTiO_3,SrZrO_3,and\;SrTi_{1-x}Zr_xO_3$ have been systematically synthesized at $1250^{\circ}C$and $1550^{\circ}C$ with specimens containing additions of up to x=0.9 of zirconium by solid state reactions and characterized by X-ray diffraction. X-ray diffraction studies showed that the compound $SrTi_{1-x}Zr_xO_3$ has cubic structure. The lattice paramters of $SrTi_{1-x}Zr_xO_3$ solid solutions obey the Vegard's law and fairly large increase in volume can acompany the formation of this solution with increasing Zr content(X). Assuming the lattice constants of perovskite type compounds $A(B_{1-x}B'_x)O_3$where $B_{1-x}B'_x$ is $Ti_{1-x}Zr_x$, to be a linear function of the ionic radii of B and B' ions, the disordered ion pair of $Ti^{4+}$and $Zr^{4+}$ was verified from the lattice constants of a series compounds varying x=0,0.05, 0.25, 0.5, 0.75, 0.9, and 1.0 with known isovalent pairs.

Numerical Analysis of a Weak Shock Wave Propagating in a Medium Using Lattice Boltzmann Method (LBM)

  • Kang, Ho-Keun;Michihisa Tsutahara;Ro, Ki-Deok;Lee, Young-Ho
    • Journal of Mechanical Science and Technology
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    • v.17 no.12
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    • pp.2034-2041
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    • 2003
  • This study introduced a lattice Boltzmann computational scheme capable of modeling thermo hydrodynamic flows with simpler equilibrium particle distribution function compared with other models. The equilibrium particle distribution function is the local Maxwelian equilibrium function in this model, with all the constants uniquely determined. The characteristics of the proposed model is verified by calculation of the sound speeds, and the shock tube problem. In the lattice Boltzmann method, a thermal fluid or compressible fluid model simulates the reflection of a weak shock wave colliding with a sharp wedge having various angles $\theta$$\sub$w/. Theoretical results using LBM are satisfactory compared with the experimental result or the TVD.

A Simple Shell Model Approach to Lattice Dynamics of Cr, Mo, and W

  • Kim, Chang-Hyo;Chang, Jong-Hwa
    • Nuclear Engineering and Technology
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    • v.7 no.2
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    • pp.107-118
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    • 1975
  • The lattice dynamics of Cr, Mo, and W are formulated in terms of a simple shell model in which the transition metal ions in the crystals are treated as deformable ions. The model involves a total of seven parameters; two charge parameters and five force constant parameters. The numerical values of the model parameters are determined by fitting to three elastic constants and the lattice vibrational frequencies measured by the neutron inelastic scattering experiments. Attempts are made to compute the phonon dispersion relations, the frequency distribution functions, and the lattice specific heats of three metals. The results are compared with experiments. It is found that the simple shell model can give a satisfactory account for the lattice vibrational characteristics of transition metals. The usefulness of the model is then discussed in comparison With other lattice dynamical models.

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An empirical formula for the calculation of lattice parameters of the huntite-borate crystals (Huntite-borate결정의 격자상수 산출을 위한 계산식의 도출)

  • Kiyoshi Shimamura;Valery l. Chani;;Tsuguo Fukuda
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.8 no.1
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    • pp.91-96
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    • 1998
  • An empirical relationship which can be calculated to the lattice constants $a_0$ and $c_0$ for the borate crystals with huntite structure were determined. Different compositions of twenty-eight were used for the calculations. These empirical formulas can be used to predict lattice parameters of unknown compositions as a function of the average ionic radii in the trigonal and octahedral sites of the huntite structure.

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