• Title/Summary/Keyword: n:2-Lattice

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A Study on The Grain Boundary State of ${\alpha}-Fe_2O_3$ Thermistor by Frequency Properties (주파수 특성에 의한 ${\alpha}-Fe_2O_3$ Thermistor의 계면준위 해석)

  • Hong, H.K.;Kang, H.B.;Kim, B.H.;Choi, B.G.;Sung, Y.K.
    • Proceedings of the KIEE Conference
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    • 1990.07a
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    • pp.227-230
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    • 1990
  • The addition of titanium has come to produce an increase in the conductivity of ${\alpha}-Fe_2O_3$ and has been shown NTC ( negative temperature coefficient ) characteristics. Titanium enters the ${\alpha}-Fe_2O_3$ lattice substitutionally as $Ti^{4+}$,thus producing an $Fe^{2+}$ and maintaining the average charge per cation at three. Thus the $Fe^{2+}$ acts as a donor center with respect to the surrounding $Fe^{3+}$ ions. The sintering temperature, compacting pressure and sintering tire have an effect on the electrical properties. C-V and other properties have been measured on polycrystalline samples of ${\alpha}-Fe_2O_3$ containing small deviations from stoichiometry and small amounts of added Titanium. This measurment was made in the course of an investigation of the NTC mechanism in oxides whose cations have a partially filled d-level. C-V and frequency properties have been applied to the measurement of the trap barrier properties at the grain boundary. The double Schottky barrier at the grain boundary is the major cause of the NTC mechanism in NTC thermistor of ${\alpha}-Fe_2O_3$ containing N-type impurity.

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Synthesis, Characterization and Property Studies on a Dinuclear Copper(II) Complex with Dipyridine Derivate and Acetylacetone

  • Zhao, Pu Su;Guo, Zhi Yan;Sui, Jing;Wang, Jing;Jian, Fang Fang
    • Bulletin of the Korean Chemical Society
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    • v.32 no.1
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    • pp.49-52
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    • 2011
  • A dinuclear copper(II) complex of [$Cu_2(aceace)_4$(dipyph)] [aceace = acetylacetone, dipyph = 1,4-di(4-pyridylethene-2-yl-)benzene] has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. It crystallizes in the monoclinic system, space group P21/c, with lattice parameters a = 7.9584(16) $\AA$, b = 18.594(4) $\AA$, c = 15.063(4) $\AA$ $\beta=120.97(2)^o$ and $M_r$ = 807.85 ($C_{40}H_{44}Cu_2N_2O_8$), Z = 2. Each of the $Cu^{2+}$ ion adopts a square pyramid geometry and coordinates with four oxygen atoms from two aceace ligands and one nitrogen atom from dipyph bidentate ligand. Magnetic measurement shows that the Weiss constant and Curie constant for the title compound are -0.22 K and 0.1154 emu K/mol, respectively. Thermal stability data indicate that the title complex undergoes two steps decomposition and the residue is $Cu_2O_4$. In the potential range of -1.5 ~ 0.8 V, the title complex represents an irreversible electrochemical process.

Comparison of Recombination Methods ad Cooling Factors in Genetic Algorithms Applied to Folding of Protein Model System

  • U, Su Hyeong;Kim, Du Il;Jeong, Seon Hui
    • Bulletin of the Korean Chemical Society
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    • v.21 no.3
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    • pp.281-290
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    • 2000
  • We varied recombination method of fenetic algorithm (GA), i.e., crossover step, to compare efficiency of these methods, and to find more optimum GA method. In one method (A), we select two conformations(parents) to be recombined by systematic combination of lowest energy conformations, and in the other (B), we select them in a ratio proportional to the energy of the conformation. Second variation lies in how to select crossover point. First, we select it randomly(1). Second, we select range of residues where internal energy of the molecule does not vary for more than two residues, select randomly among such regions, and we select either thr first (2a) or the second residue (2b) from the N-terminal side, or the first (2c) or the second residue (2d) from the C-terminal side in the selected region for crossover point. Third, we select longest such hregion, and select such residue(as cases 2) (3a, 3b, 3c or 3d) of the region. These methods were tested in a 2-dimensionl lattice system for 8 different sequences (the same ones used by Unger and Moult., 1993). Results show that compared to Unger and Moult's result(UM) which corresponds to B-1 case, our B-1 case performed similarly in overall. There are many cases where our new methods performed better than UM for some different sequences. When cooling factor affecting higher energy conformation to be accepted in Monte Carlo step was reduced, our B-1 and other cases performed better than UM; we found lower energy conformers, and found same energy conformers in a smaller steps. We discuss importance of cooling factor variation in Monte Carlo simulations of protein folding for different proteins. (A) method tends to find the minimum conformer faster than (B) method, and (3) method is superior or at least equal to (1) method.

Band structure, electron-phonon interaction and superconductivity of yttrium hypocarbide

  • Dilmi, S.;Saib, S.;Bouarissa, N.
    • Current Applied Physics
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    • v.18 no.11
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    • pp.1338-1344
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    • 2018
  • Band parameters and superconductivity of yttrium hypocarbide ($Y_2C$) have been investigated. The computations are performed using first-principles pseudopotential method within a generalized gradient approximation. The equilibrium lattice parameters have been determined and compared with experiment. Moreover, the material of interest is found to be stiffer for strains along the a-axis than those along the c-axis. A band-structure analysis of $Y_2C$ implied that the latter has a metallic character. The examination of Eliashberg Spectral Function indicates that Y-related phonon modes as well as C-related phonon modes are considerably involved in the progress of scattering of electrons. By integrating this function, the value of the average electron-phonon coupling parameter (${\lambda}$) is found to be 0.362 suggesting thus that $Y_2C$ is a weak coupling Bardeen-Copper-Schrieffer superconductor. The use of a reasonable value for the effective Coulomb repulsion parameter (${\mu}^*=0.10$) yielded a superconducting critical temperature $T_c$ of 0.59 K which is comparable with a previous theoretical value of 0.33 K. Upon compression (at pressure of 10 GPa) ${\lambda}$ and $T_c$ are increased to be 0.366 and 0.89 K, respectively, showing thus the pressure effect on the superconductivity in $Y_2C$. The spin-polarization calculations showed that the difference in the total energy between the magnetic and non-magnetic $Y_2C$ is weak.

Study of the Efficiency Droop Phenomena in GaN based LEDs with Different Substrate

  • Yoo, Yang-Seok;Li, Song-Mei;Kim, Je-Hyung;Gong, Su-Hyun;Na, Jong-Ho;Cho, Yong-Hoon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.172-173
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    • 2012
  • Currently GaN based LED is known to show high internal or external efficiency at low current range. However, this LED operation occurs at high current range and in this range, a significant performance degradation known as 'efficiency droop' occurs. Auger process, carrier leakage process, field effect due to lattice mismatch and thermal effects have been discussed as the causes of loss of efficiency, and these phenomena are major hindrance in LED performance. In order to investigate the main effects of efficiency loss and overcome such effects, it is essential to obtain relative proportion of measurements of internal quantum efficiency (IQE) and various radiative and nonradiative recombination processes. Also, it is very important to obtain radiative and non-radiative recombination times in LEDs. In this research, we measured the IQE of InGaN/GaN multiple quantum wells (MQWs) LEDs with PSS and Planar substrate using modified ABC equation, and investigated the physical mechanism behind by analyzing the emission energy, full-width half maximum (FWHM) of the emission spectra, and carrier recombination dynamic by time-resolved electroluminescence (TREL) measurement using pulse current generator. The LED layer structures were grown on a c-plane sapphire substrate and the active region consists of five 30 ${\AA}$ thick In0.15Ga0.85N QWs. The dimension of the fabricated LED chip was $800um{\times}300um$. Fig. 1. is shown external quantum efficiency (EQE) of both samples. Peak efficiency of LED with PSS is 92% and peak efficiency of LED with planar substrate is 82%. We also confirm that droop of PSS sample is slightly larger than planar substrate sample. Fig. 2 is shown that analysis of relation between IQE and decay time with increasing current using TREL method.

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Microstructural analysis of the single crystalline AlN and the effect of the annealing on the crystalline quality (단결정 AlN의 미세구조 분석 및 어닐링 공정이 결정성에 미치는 영향)

  • Kim, Jeoung Woon;Bae, Si-Young;Jeong, Seong-Min;Kang, Seung-Min;Kang, Sung;Kim, Cheol-Jin
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.28 no.4
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    • pp.152-158
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    • 2018
  • PVT (Physical Vapor Transport) method has advantages in producing high quality, large scale wafers where many researches are being carried out to commercialize nitride semiconductors. However, complex process variables cause various defects when it had non-equilibrium growth conditions. Annealing process after crystal growth has been widely used to enhance the crystallinity. It is important to set appropriate temperature, pressure, and annealing time to improve crystallinity effectively. In this study, the effect of the annealing conditions on the crystalline structure variation of the AlN single crystal grown by PVT method was investigated with synchrotron whitebeam X-ray topography, electron backscattered diffraction (EBSD), and Rietveld refinement. X-ray topography analysis showed secondary phases, sub-grains, impurities including carbon inclusion in the single crystal before annealing. EBSD analyses identified that sub-grains with slightly tilted basal plane appeared and the overall number of grains increased after the annealing process. Rietveld refinement showed that the stress caused by the temperature gradient during the annealing process between top and bottom in the hot zone not only causes distortion of grains but also changes the lattice constant.

Characteristics of (Sr1-xBax)NdFe3+1-τFe4+τO4-y System Heat-treated in Air

  • Lee, Eun-Seok;Hag, Jang-Chun
    • Transactions on Electrical and Electronic Materials
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    • v.13 no.1
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    • pp.39-42
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    • 2012
  • To study the physical and chemical properties, solid solutions of $(Sr_{1-x}Ba_x)NdFe{^{3+}}_{1-\tau}Fe{^{4+}}_{\tau}O_{4-y}$ system with x=0.0(SBN-0), 0.1(SBN-1), 0.2(SBN-2) and 0.3(SBN-3) were synthesized in air at 1,473 K and annealed in air at 1,073 K for 24 h. X-ray powder diffraction assured that the four samples had tetragonal symmetries (I4/mmm). Their lattice volumes increased gradually with x values. Nonstoichiometric chemical formulas were formulated using the data such as $\tau$(amount of $Fe^{4+}$ ion) and y(oxygen deficiency) values using Mohr salt analysis. It was found out that all the four samples had excessive oxygen (4-y>4.0). All the samples started to lose some of their oxygen at around 613K(TG/DTA thermal analysis). They exhibited semiconductivities in the temperature range of around 283-1173K. All the four specimens had sufficient tensile strength to endure the force of 19.6 N (2 kg of weights) and the conductivity values of the ECIAs which were painted on pieces of glass with the area of $150mm^2$ ($10mm{\times}15mm$) and it was in the order of ECIA-0${\rightarrow}$ECIA-1${\rightarrow}$ECIA-2${\rightarrow}$ECIA-3 at a constant temperature.

Structural and Microwave Dielectric Properties of $La(Mg_{1/2}Ti_{1/2})O_3$ Ceramics ($La(Mg_{1/2}Ti_{1/2})O_3$ 세라믹스의 구조 및 고주파 유전 특성 연구)

  • Yeo, Jae-Hyun;Baek, Jong-Hu;Nham, Sahn;Lee, Hwack-Joo;Park, Hyun-Min;Byun, Jae-Dong
    • Korean Journal of Materials Research
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    • v.9 no.9
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    • pp.943-947
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    • 1999
  • The crystal structure and the microwave dielectric properties of $La(Mg_{1/2}Ti_{1/2})O_3$ ceramics have been investigated. $La(Mg_{1/2}Ti_{1/2})O_3$ has the 1:1 ordered monoclinic structure with the lattice parameters of $a = 5.5467(3){\AA}, b = 5.5616(3){\AA}, c = 7.8426(5) {\AA} and \beta = 89.9589 (2)^{\circ}$ The spacegroup of LMT is $P2_1/n$. Monoclinic LMT has the in­phase and anti-phase tilting of octahedra with the $a^_a^_c^_$ tilting system. Anti-parallel shift of A-site cations was also found in LMT. The relative density of the specimens sintered above $1600^{\circ}C$ was ranged between 95 % and 96 % of the theoretical density and the dielectric constant of specimens was about 28. The highest $Q\timesf$ achieved in this investigation was 63,100 for the specimen sintered at $1630^{\circ}C$ for 5 hr. Temperature coefficient of resonance frequency ranged from $>-74 ppm/^{\circ}C ~ -79 ppm/^{\circ}C$.

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Crystallographic and Magnetic Properties of KFeO2 (KFeO2 분말의 제조 및 뫼스바우어 분광학 연구)

  • Moon, Seung-Je;Shim, In-Bo;Kim, Chul-Sung
    • Journal of the Korean Magnetics Society
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    • v.17 no.1
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    • pp.38-42
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    • 2007
  • The crystallographic and magnetic properties of $KFeO_2$ powder prepared by ball-mill method, have been studied by x-ray diffraction(XRD), $M\"{o}ssbauer$ spectroscopy, and vibrating sample magnetometer(VSM) measurements. The crystal structure of $KFeO_2$ powder at room temperature is determined to be an orthorhombic structure of Pbca with its lattice constants $a_0=5.557{\AA},\;b_0=11.227{\AA},\;c_0=15.890{\AA}$ by Rietveld refinement. $M\"{o}ssbauer$ spectra of $KFeO_2$ were taken at various temperatures ranging from 4.2 to 818 K. The magnetic hyperfine field and isomer shift value at 4.2 K and RT were 519 kOe, 489 kOe and 0.19 mm/s, 0.05 mm/s respectively. The average hyperfine field $H_{hf}(T)$ of the $KFeO_2$ shows a temperature dependence of $[H_{hf}(T)-H_{hf}(0)]/H_{hf}(0)=-0.36(T/T_N)^{5/2}$ for $T/T_N$<0.7, indicative of spin-wave excitation.

Growth and Electrical Properties of ZnAl2Se4 Single Crystal Thin Film by Hot Wall Epitaxy (Hot Wall Epitaxy(HWE)법에 의한 ZnAl2Se4 단결정 박막 성장과 가전자대 갈라짐에 대한 광전류 연구)

  • Park, Hyangsook;Bang, Jinju;Lee, Kijung;Kang, Jongwuk;Hong, Kwangjoon
    • Korean Journal of Materials Research
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    • v.23 no.12
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    • pp.714-721
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    • 2013
  • A stoichiometric mixture of evaporating materials for $ZnAl_2Se_4$ single-crystal thin films was prepared in a horizontal electric furnace. These $ZnAl_2Se_4$ polycrystals had a defect chalcopyrite structure, and its lattice constants were $a_0=5.5563{\AA}$ and $c_0=10.8897{\AA}$.To obtain a single-crystal thin film, mixed $ZnAl_2Se_4$ crystal was deposited on the thoroughly etched semi-insulating GaAs(100) substrate by a hot wall epitaxy (HWE) system. The source and the substrate temperatures were $620^{\circ}C$ and $400^{\circ}C$, respectively. The crystalline structure of the single-crystal thin film was investigated by using a double crystal X-ray rocking curve and X-ray diffraction ${\omega}-2{\theta}$ scans. The carrier density and mobility of the $ZnAl_2Se_4$ single-crystal thin film were $8.23{\times}10^{16}cm^{-3}$ and $287m^2/vs$ at 293 K, respectively. To identify the band gap energy, the optical absorption spectra of the $ZnAl_2Se_4$ single-crystal thin film was investigated in the temperature region of 10-293 K. The temperature dependence of the direct optical energy gap is well presented by Varshni's relation: $E_g(T)=E_g(0)-({\alpha}T^2/T+{\beta})$. The constants of Varshni's equation had the values of $E_g(0)=3.5269eV$, ${\alpha}=2.03{\times}10^{-3}eV/K$ and ${\beta}=501.9K$ for the $ZnAl_2Se_4$ single-crystal thin film. The crystal field and the spin-orbit splitting energies for the valence band of the $ZnAl_2Se_4$ were estimated to be 109.5 meV and 124.6 meV, respectively, by means of the photocurrent spectra and the Hopfield quasicubic model. These results indicate that splitting of the ${\Delta}so$ definitely exists in the ${\Gamma}_5$ states of the valence band of the $ZnAl_2Se_4/GaAs$ epilayer. The three photocurrent peaks observed at 10 K are ascribed to the $A_1$-, $B_1$-exciton for n = 1 and $C_{21}$-exciton peaks for n = 21.