• Journal of the Korean Ceramic Society
• /
• v.53 no.3
• /
• pp.301-305
• /
• 2016

We investigate proton conduction in a nonstoichiometric ${\Sigma}3$ $BaZrO_3$ (210)[001] tilt grain boundary using density functional theory (DFT). We employ the space charge layer (SCL) and structural disorder (SD) models with the introduction of protons and oxygen vacancies into the system. The segregation energies of proton and oxygen vacancy are determined as -0.70 and -0.54 eV, respectively. Based on this data, we obtain a Schottky barrier height of 0.52 V and defect concentrations at 600K, in agreement with the reported experimental values. We calculate the energy barrier for proton migration across the grain boundary core as 0.61 eV, from which we derive proton mobility. We also obtain the proton conductivity from the knowledge of proton concentration and mobility. We find that the calculated conductivity of the nonstoichiometric grain boundary is similar to those of the stoichiometric ones in the literature.

• ETRI Journal
• /
• v.11 no.4
• /
• pp.75-83
• /
• 1989

The diffusion mechanism of Si in GaAs was investigated using different diffusion sources based on the Si-Ga-As ternary phase equilibria. The Si profiles are measured with secondary ion mass spectrometry and differ significantly for sources taken from the different phase fields in the ternary phase diagram. Neutral As vacancy diffusion is proposed for acceptor Si diffusion anneals using a Ga - Si - GaAs source. Donor Si diffusion using As - rich sources and a Si -GaAs tie line source shows concentration dependent diffusion behavior. Concentration dependent diffusion coefficients of donor Si for As - rich source diffusion were found to be related to net ionized donor concentration and showed three regimes of different behavior: saturation regime, intermediate regime,and intrinsic regime. Ga vacancies are proposed to be responsible for donor Si diffusionin GaAs: $Si_Ga^+V_Ga^-$ (donor Si -acceptor Gavacancy) complex for the extrinsic regime and neutral $V_G$a, for the intrinsic regime.The Si - GaAs tie line source resulted in two branch profiles, intermediate between the As - rich and the Ga - rich source diffusion cases.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.02a
• /
• pp.306-306
• /
• 2011

Three dimensional(3D) topological insulators(TIs) of Bi binary alloys are characterized by a bulk energy gap with strong spin-orbit coupling and metallic surface states protected by time-reversal symmetry. It was reported that film forms of such materials were advantageous over bulk forms due to less defect density and better crystallinity. So far, the films have been prepared on several substrates including semiconductors and graphene. But, there were no studies on metal substrates. For electronic transport experiments and device applications, it is necessary to know epitaxial relation between TIs and metal electrodes. In this study, Atomically flat films of Bi2Se3 were grown on a Au(111) metal substrate by in-situ molecular beam epitaxy. Using home-built scanning tunneling microscope, we observed hexagonal atomic structures which corresponded to the outmost selenium atomic layer of Bi2Se3. Triangular-shaped defects known as Selenium vacancy were also found.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.02a
• /
• pp.61-61
• /
• 2011

Using ab initio calculations, we study the MgO(001) and Fe/MgO(001) surface phases and the effects of interface structure on the Fe/MgO magnetic anisotropy. The surface phase diagrams of MgO(001) and Fe/MgO(001) show that the most stable surface structures are either defect-free surface or the surfaces with oxygen vacancies in c($2{\times}1$) periodicity for the systems. By the formations of the oxygen vacancy rows on MgO(001) surface, the in-plane magnetic anisotropy energy of Fe overlayer is reduced while the perpendicular magnetic anisotropy energy is increased from 0.1 to 0.5 meV per Fe atom.

• Journal of the Korean Ceramic Society
• /
• v.37 no.8
• /
• pp.799-804
• /
• 2000

Coulometric titration experiments have been done for copper doped cobaltous oxide (Co1-xCux)1-$\delta$ O with various dopant concentrations. We present the obtained experimental data and compare our results to those of previous thermogravimetric investigation. The experimental data are fitted by theoretical calculations based on various defect models. For this modeling, we considered different types fo major defects like copper in substitutional and interstitial lattice sites as well as copper vacancy. We also introduced the copper evaporation effect during titration experiment into our consideration.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.24 no.12
• /
• pp.962-968
• /
• 2011

In this study, we investigated the effects of Mn dopant (0.1~3.0 at% $Mn_3O_4$ sintered at 1000$^{\circ}C$ for 1 h in air) on the bulk trap (i.e. defect) and grain boundary properties of ZnO, ZM(0.1~3.0) using admittance spectroscopy (AS), and impedance-modulus spectroscopy (IS & MS). As a result, three kinds of defect were found below the conduction band edge of ZnO as 0.09~0.14 eV (attractive coulombic center), 0.22~25 eV ($Zn^{{\cdot}{\cdot}}_i$), and 0.32~0.33 eV ($V^{\cdot}_o$). The oxygen vacancy increased with Mn doping. In ZM, an electrically single grain boundary as double Schottky barrier was formed with 0.82~1.0 eV of activation energies by IS & MS. We also find out that the barriers of grain boundary of Mn-doped ZnO (${\alpha}$-factor=0.13) were more stabilized and homogenized with temperature compared to pure ZnO.

• Korean Journal of Materials Research
• /
• v.11 no.1
• /
• pp.55-60
• /
• 2001

The effect of high energy B ion implantation and initial oxygen concentration upon defect formation and gettering of metallic impurities in Czochralski silicon wafer has been studied by applying DLTS( Deep Level Transient Spectroscopy), SIMS(Secondary ton Mass Spectroscopy), BMD (Bulk Micro-Defect) analysis and TEM(Transmission Electron Microscopy). DLTS results show the signal of the deep levels not only in as-implanted samples but also in low and high temperature annealed samples. Vacancy-related deep levels in as- implanted samples were changed to metallic impurities-related deep levels with increase of annealing temperature. In the case of high temperature anneal, by showing the lower deep level concentration with increase of initial oxygen concentration, high initial oxygen concentration seems to be more effective compared with the lower initial oxygen one.

• Proceedings of the Korea Association of Crystal Growth Conference
• /
• 1999.06a
• /
• pp.187-207
• /
• 1999

The thermal distributions near the growth interface of 150mm CZ crystals were measured by three thermocouples installed at the center, middle (half radius) and edge (10m from surface) of the crystals. The results show that larger growth rates produced smaller thermal gradients. This contradicts the widely used heat flux balance equation. Using this fact, it si confirmed in CZ crystals that the type of point defects created is determined by the value of the thermal gradient (G) near the interface during growth, as already reported for FZ crystals. Although depending on the growth systems the effective lengths of the thermal gradient for defect generation are varied, were defined the effective length as 10mm from the interface in this experiment. If the G is roughly smaller than 20C/cm, vacancy rich CZ crystals are produced. If G is larger than 25C/cm, the species of point defects changes dramatically from vacancies to interstitial. The experimental results which FZ and CZ crystals are detached from the melt show that growth interfaces are filled with vacancy. We propose that large G produces shrunk lattice spacing and in order to relax such lattice excess interstitial are necessary. Such interstitial recombine with vacancies which were generated at the growth interface, next occupy interstitial sites and residuals aggregate themselves to make stacking faults and dislocation loops during cooling. The shape of the growth interface is also determined by the distributions of G across the interface. That is, the small G and the large G in the center induce concave and convex interfaces to the melt, respectively.

• Korean Journal of Materials Research
• /
• v.31 no.6
• /
• pp.320-324
• /
• 2021

Effects of growth variables and post-growth annealing on the optical, structural and electrical properties of magnetron-sputtered Ga_0.04Mg_0.10Zn_0.86O films are characterized in detail. It is observed that films grown from pure oxygen plasma showed high resistivity, ~10² Ω·cm, whereas films grown in Ar plasma showed much lower resistivity, 2.0 × 10^-2 ~ 1.0 × 10^-1 Ω·cm. Post-growth annealing significantly improved the electrical resistivity, to 4.3 ~ 9.0 × 10^-3 Ω·cm for the vacuum annealed samples and to 1.3 ~ 3.0 × 10^-3 Ω·cm for the films annealed in Zn vapor. It is proposed that these phenomena may be attributed to the improved crystalline quality and to changes in the defect chemistry. It is suggested that growth within oxygen environments leads to suppression of oxygen vacancy (Vo) donors and formation of Zn vacancy (V_Zn) acceptors, resulting in highly resistive films. After annealing treatment, the activation of Ga donors is enhanced, Vo donors are annihilated, and crystalline quality is improved, increasing the electron mobility and the concentration. After annealing in Zn vapor, Zn interstitial donors are introduced, further increasing the electron concentration.

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.6 no.3
• /
• pp.327-340
• /
• 1996

In this study, a series of $LiNbO_{3}$ crystals with different [Li]/[Nb] ratios, congruent $LiNbO_{3}$ crystals with doped Mg and with Mg and codoped with Mn were grown by the Czocharalski method. These were investigated by UV and IR spectrophotometry. Stoichiometry dependences of the UV absorption edge and the $OH^{-}$ absorption spectra were studied with different [Li]/[Nb] ratios. The position of the UV absorption edge adn the shape and peak point of the $OH^{-}$ absorption spectra changed monotonously upto a critical concentration of Mg ions. The mechanism of the incorporation of Mg ions changes at this concentration. The decomposition of the $OH^{-}$ absorption spectra using a Gaussian lineshape function showed that in Li-deficient crystals the absorption spectra consist of five components in contrast to more or less perfect stoichiometric crystals which reveal to three components. On the basis of these results, the intrinsic and the extrinsic defect structure models in $LiNbO_{3}$ crystals were examined. The behaviour of $\nu$ (OH) reflects the defect structure and supports the Li-site vacancy model as the intrinsic defect structure model and the corresponding extrinsic defect model. A brief discussion is also given of the behaviour of $\nu$ (OH) in $LiNbO_{3}$ crystals simultaneously doped with several kinds of impurity.