• Title/Summary/Keyword: lattice constant

Search Result 409, Processing Time 0.026 seconds

A First-principles Study on Magnetic and Electronic Properties of Ni Impurity in bcc Fe

  • Rahman, Gul;Kim, In-Gee
    • Journal of Magnetics
    • /
    • v.13 no.4
    • /
    • pp.124-127
    • /
    • 2008
  • The magnetic and electronic properties of Ni impurity in bcc Fe ($Ni_1Fe_{26}$) are investigated using the full potential linearized augmented plane wave (FLAPW) method based the generalized gradient approximation (GGA). We found that the Ni impurity in bcc Fe increases both the lattice constant and the magnetic moment of bcc Fe. The calculated equilibrium lattice constant of $Ni_1Fe_{26}$ in the ferromagnetic state was 2.84 A, which is slightly larger than that of bcc Fe (2.83 ${\AA}$). The averaged magnetic moment per atom of $Ni_1Fe_{26}$ unit cell was calculated to be $2.24{\mu}_B$, which is greater than that of bcc Fe (2.17 ${\mu}_B$). The enhancement of magnetic moment of $Ni_1Fe_{26}$ is mainly contributed by the nearest neighbor Fe atom of Ni, i.e., Fe1, and this can be explained by the spin flip of Fe1 d states. The density of states shows that Ni impurity forms a virtual bound state (VBS), which is contributed by Ni $e_{g{\downarrow}}$ states. We suggest that the VBS caused by the Ni impurity is responsible for the spin flip of Fe1 d states.

Effects of Sr on the Characteristics of PZT Ceramics Prepared by Hydrothermal Process (수열합성법에 의해 제조된 PZT의 특성에 미치는 Sr의 영향)

  • Yang, Beom-Seok;Shin, Chang-Yun;Won, Chang-Whan
    • Journal of the Korean Ceramic Society
    • /
    • v.45 no.11
    • /
    • pp.681-687
    • /
    • 2008
  • The sintering and electrical properties of the hydrothermal PSZT powders obtained by substituting 4, 6 and 8mol% Sr for Pb in PZT lattice structure were investigated. The lattice constant and particle size decreased in proportion to a quantity of Sr. The sintering properties of PSZT powders showed $7.754g/cm^3$ of sintered density and $4{\mu}m$ of grain size at sintering temperature of $1250^{\circ}C$. Curie temperature lowered gradually from $363.6^{\circ}C\;to\;319.2^{\circ}C$ and relative dielectric constants increased rapidly by a quantity of Sr. In comparison to PZT, moreover, the quality factor of PSZT was increased more than three times with increase of Sr mole ratio, and piezoelectric constant $(d_{31}\;and\;g_{31})$ was decreased. It was found that dielectric loss of PSZT was decreased by 0.574% which was half of PZT.

Dielectric Properties of Sr(Mg1/3Nb1/3)O3-Ba(Mg1/3Nb2/3)O3-Ba(Mg1/3Ta2/3)O3 Solid Solution (Sr(Mg1/3Nb1/3)O3-Ba(Mg1/3Nb2/3)O3-Ba(Mg1/3Ta2/3)O3고용체의 유전성 (복합 Perovskite구조를 갖는 세라믹스의 유전성))

  • 윤기현;정범준;김응수;강동헌
    • Journal of the Korean Ceramic Society
    • /
    • v.25 no.6
    • /
    • pp.639-644
    • /
    • 1988
  • The physical and dielectric properties of complex perovskite compound Sr(Mg1/3Nb1/3)O3-Ba(Mg1/3Nb2/3)O3-Ba(Mg1/3Ta2/3)O3(BMT) system were investigated as a function of composition. As the mole ratio of BMN was increased, lattice parameter ratio c/a was slightly increased, and density was increased in SMN-BMN system. However, in BMN-BMT system, lattice parameter ratio c/a and density were decreased with increasing the mole ratio of BMN. Dielectric constant, dielectric loss at $25^{\circ}C$ and 100kHz, and temperature coefficient of resonant frequency, the dependence of temperature in capacitance were increased with increasing the mole ratio of BMN in SMN-BMN-BMT system. These result can be explained according to the degree of order=disorder and dielectric constant.

  • PDF

The structure analysis of $Y_1Ba_2Cu_3O_x$ high Tc superconductor based on rietveld method (리트벨트 해석법을 이용한 $Y_1Ba_2Cu_3O_x$ 고온 초전도체의 구조분석)

  • 채기병;소대화
    • Electrical & Electronic Materials
    • /
    • v.8 no.6
    • /
    • pp.780-786
    • /
    • 1995
  • For the execution of RIETAN program adopting Rietveld Analysis Method, the sample superconductor is made according to the solid state synthesis method at 920.deg. C for 24hrs, and was examined for the optimization of parameters needed to analyze Rietveld method with the input of the measured pattern data after measuring the pattern resulted from the X-ray diffraction. It was proven that the lattice constant of the superconductor which was consisted of Pmmm orthorhombic crystal structure in the analyzed space group correspond to the presented theoretical lattice constant a=3.8887(8).angs., b=3.8238(4).angs., c=11.7079.angs.. Therefore, it was examined and confin-ned that the R factor, which was compensated after analyzing the structure of superconductor resulted from this experimented data with the computer simulation, was refined to $R_{wp}$=8.83[%], $R_{P}$=6.47[%], $R_{I}$=10.08[%], $R_{F}$=7.19[%], $R_{E}$=3.76[%]. On the basis of these experimental data, the significant parameter such as the scale factor(S) and the zero point shift(Z) and FWHM value(U,V,W) were optimized as follows; S=2.0827E-3, Z=0.2146, U=4.2761E-2, V=1.7983E-2, and W=2.6768E-2.2.2.2.2.2.

  • PDF

Structural and Dielectric Properties of (Sr.Ca)$TiO_3$-based Ceramics with the Substitution of Ca (Ca 치환에 따른 (Sr.Ca)$TiO_3$계 세라믹스의 구조적 및 유전 특성)

  • 최운식;강재훈;서용진;김창일;김충혁;박용필
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
    • /
    • v.14 no.11
    • /
    • pp.879-884
    • /
    • 2001
  • In this paper, the structural and dielectric properties of (Sr$_{l-x}$Ca$_{x}$)TiO$_3$ (0$\leq$x$\leq$0.2) -based grain boundary layer ceramics were investigated by XRD, SEM and HP4194A. The ceramics were fabricated by the conventional mixed oxide method. The sintering temperature and time were 1420~152$0^{\circ}C$ and 4 hours, respectively. The average grain size and the lattice constant were decreased with increasing content of Ca. The average grain size was increased with increase of sintering temperature. The relative density of all specimens was 96~98%. The 2nd Phase formed by the thermal diffusion of CuO from the surface leads to very excellent dielectric properties, that is, $\varepsilon$$_{r}$>50000, tan $\delta$<0.05, $\Delta$C<$\pm$10%. The appropriate Ca content was under 15 ㏖%.s under 15 ㏖%.%.

  • PDF

A study on electrical characteristics of ceramics capacitor for temperature compensation (온도보상용 세라믹 커패시터의 전기적 특성에 관한 연구)

  • 홍경진;정우성;김태성;이은학;이준웅
    • Electrical & Electronic Materials
    • /
    • v.8 no.5
    • /
    • pp.640-647
    • /
    • 1995
  • In this study, the BaTiO$\sub$3/ capacitor add to MnO$\sub$2/ like depressor and shifter were investigated for temperature or voltage compensation by structural and electrical analysis. The relative density of BCTM, generating poly crystall and formation of lattice defect, has a 90[%] over as the CaTiO$\sub$3/ come out to control grain size. The current density of BCTM2 increased non-ohmic in high-electric field but that BCTM3 and BCTM4 had a few changing. The BCTM3 and BCTM4 unformated grain boundary shown temperature compensation properties, so that the dielectric constant was low value. The curie point was near 140[.deg. C] in BCTM1 and BCTM4, but BCTM3 and BCTM4 not shown the curie point. It is found that the charging energy of BCTM4 was changed 6[%] according to rising temperature from room temperature to 417[K]. The formation of BaMnO$\sub$3/ was low dielectric constant to change frequency and temperature.

  • PDF

Microstructural Investigation of CoCrFeMnNi High Entropy Alloy Oxynitride Films Prepared by Sputtering Using an Air Gas

  • Le, Duc Duy;Hong, Soon-Ku;Ngo, Trong Si;Lee, Jeongkuk;Park, Yun Chang;Hong, Sun Ig;Na, Young-Sang
    • Metals and materials international
    • /
    • v.24 no.6
    • /
    • pp.1285-1292
    • /
    • 2018
  • Microstructural properties of as-grown and annealed CoCrFeMnNi high entropy alloy (HEA) oxynitride thin films were investigated. The CoCrFeMnNi HEA oxynitride thin film was grown by magnetron sputtering method using an air gas, and annealed under the argon plus air flow for 5 h at $800^{\circ}C$. The as-grown film was homogeneous and uniform composed of nanometer-sized crystalline regions mixed with amorphous-like phase. The crystalline phase in the as-grown film was face centered cubic structure with the lattice constant of 0.4242 nm. Significant microstructural changes were observed after the annealing process. First, it was fully recrystallized and grain growth happened. Second, Ni-rich region was observed in nanometer-scale range. Third, phase change happened and it was determined to be $Fe_3O_4$ spinel structure with the lattice constant of 0.8326 nm. Hardness and Young's modulus of the as-grown film were 4.1 and 150.5 GPa, while those were 9.4 and 156.4 GPa for the annealed film, respectively.

A Study on the Structure and Electrical Properties of CeO$_2$ Thin Film (CeO$_2$ 박막의 구조적, 전기적 특성 연구)

  • 최석원;김성훈;김성훈;이준신
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
    • /
    • 1999.05a
    • /
    • pp.469-472
    • /
    • 1999
  • CeO$_2$ thin films have used in wide applications such as SOI, buffer layer, antirflection coating, and gate dielectric layer. CeO$_2$takes one of the cubic system of fluorite structure and shows similar lattice constant (a=0.541nm) to silicon (a=0.543nm). We investigated CeO$_2$films as buffer layer material for nonvolatile memory device application of a single transistor. Aiming at the single transistor FRAM device with a gate region configuration of PZT/CeO$_2$ /P-Si , this paper focused on CeO$_2$-Si interface properties. CeO$_2$ films were grown on P-type Si(100) substrates by 13.56MHz RF magnetron sputtering system using a 2 inch Ce metal target. To characterize the CeO$_2$ films, we employed an XRD, AFM, C-V, and I-V for structural, surface morphological, and electrical property investigations, respectively. This paper demonstrates the best lattice mismatch as low as 0.2 % and average surface roughness down to 6.8 $\AA$. MIS structure of CeO$_2$ shows that breakdown electric field of 1.2 MV/cm, dielectric constant around 13.6 at growth temperature of 200 $^{\circ}C$, and interface state densities as low as 1.84$\times$10$^{11}$ cm $^{-1}$ eV$^{-1}$ . We probes the material properties of CeO$_2$ films for a buffer layer of FRAM applications.

  • PDF

The recombination velocity at III-V compound heterojunctions with applications to Al/$_x$/Ga/$_1-x$/As-GaAs/$_1-y$/Sb/$_y$/ solar cells

  • 김정순
    • 전기의세계
    • /
    • v.28 no.4
    • /
    • pp.53-63
    • /
    • 1979
  • Interface recombination velocity in $Al_{x}$G $a_{1-x}$ As-GaAs and $Al_{0.85}$, G $a_{0.15}$ As-GaA $s_{1-y}$S $b_{y}$ heterojunction systems is studied as a function of lattice mismatch. The results are applied to the design of highly efficient III-V heterojunction solar cells. A horizontal liquid-phase epitaxial growth system was used to prepare p-p-p and p-p-n $Al_{x}$G $a_{1-x}$ As-GaA $s_{1-y}$S $b_{y}$-A $l_{x}$G $a_{1-x}$ As double heterojunction test samples with specified values of x and y. Samples were grown at each composition, with different GaAs and GaAs Sb layer thicknesses. A method was developed to obtain the lattice mismatch and lattice constants in mixed single crystals grown on (100) and (111)B oriented GaAs substrates. In the AlGaAs system, elastic lattice deformation with effective Poisson ratios .mu.$_{eff}$ (100=0.312 and .mu.$_{eff}$ (111B) =0.190 was observed. The lattice constant $a_{0}$ (A $l_{x}$G $a_{1-x}$ As)=5.6532+0.0084x.angs. was obtained at 300K which is in good Agreement with Vegard's law. In the GaAsSb system, although elastic lattice deformation was observed in (111) B-oriented crystals, misfit dislocations reduced the Poisson ratio to zero in (100)-oriented samples. When $a_{0}$ (GaSb)=6.0959 .angs. was assumed at 300K, both (100) and (111)B oriented GaAsSb layers deviated only slightly from Vegard's law. Both (100) and (111)B zero-mismatch $Al_{0.85}$ G $a_{0.15}$As-GaA $s_{1-y}$S $b_{y}$ layers were grown from melts with a weight ratio of $W_{sb}$ / $W_{Ga}$ =0.13 and a growth temperature of 840 to 820 .deg.C. The corresponding Sb compositions were y=0.015 and 0.024 on (100) and (111)B orientations, respectively. This occurs because of a fortuitous in the Sb distribution coefficient with orientation. Interface recombination velocity was estimated from the dependence of the effective minority carrier lifetime on double-heterojunction spacing, using either optical phase-shift or electroluminescence timedecay techniques. The recombination velocity at a (100) interface was reduced from (2 to 3)*10$^{4}$ for y=0 to (6 to 7)*10$^{3}$ cm/sec for lattice-matched $Al_{0.85}$G $a_{0.15}$As-GaA $s_{0.985}$S $b_{0.015}$ Although this reduction is slightly less than that expected from the exponential relationship between interface recombination velocity and lattice mismatch as found in the AlGaAs-GaAs system, solar cells constructed from such a combination of materials should have an excellent spectral response to photons with energies over the full range from 1.4 to 2.6 eV. Similar measurements on a (111) B oriented lattice-matched heterojunction produced some-what larger interface recombination velocities.ities.ities.s.

  • PDF

A Study of Activated Sintering Mechanism of $UO_2$ Powder by High Temperature X-Ray Diffractometry

  • Lee, Byoung-Whie;Suh, Kyung-Soo
    • Nuclear Engineering and Technology
    • /
    • v.4 no.2
    • /
    • pp.132-136
    • /
    • 1972
  • The mechanism for activated sintering of UO$_2$by an addition of 0.05 w/o TiO$_2$was investigated using a high temperature X-ray diffractometer. The diffraction pattern of UO$_2$pellets was studied in a temperature range from room temperature to 120$0^{\circ}C$ in hydrogen atmosphere. At 120$0^{\circ}C$, the expansion of UO$_2$lattice were 1.448% and 1.354% greater when it was compared with those at room temperature for pellets with and without the 0.05 w/o TiO$_2$addition, respectively-The effect of the TiO$_2$addition is to increase the lattice constant of UO$_2$by 0.094% at 120$0^{\circ}C$. The lattice constant at 120$0^{\circ}C$without the TiO$_2$addition is equal to that at 108$0^{\circ}C$ with the 0.05 w/o TiO$_2$addition. This temperature difference could be well compared with the suppression of sintering temperature by TiO$_2$hat had been observed Previously. It is believed that the increase in lattice expansion due to the TiO$_2$addition would give rise to the activated sintering of UO$_2$by the lattice-expansion-induced-enhancement of self diffusion.

  • PDF