• 한국진공학회:학술대회논문집
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• 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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• pp.211.1-211.1
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• 2014

Recently, the scaling of conventional planar NAND flash devices is facing its limits by decreasing numbers of electron stored in the floating gate and increasing difficulties in patterning. Three-dimensional vertical NAND devices have been proposed to overcome these issues. Atomic layer deposition (ALD) is the most promising method to deposit charge trap layer of vertical NAND devices, SiN, with excellent quality due to not only its self-limiting growth characteristics but also low process temperature. ALD of silicon nitride were studied using NH3 and silicon chloride precursors, such as SiCl4[1], SiH2Cl2[2], Si2Cl6[3], and Si3Cl8. However, the reaction mechanism of ALD silicon nitride process was rarely reported. In the present study, we used density functional theory (DFT) method to calculate the reaction of silicon chloride precursors with a silicon nitride surface. DFT is a quantum mechanical modeling method to investigate the electronic structure of many-body systems, in particular atoms, molecules, and the condensed phases. The bond dissociation energy of each precursor was calculated and compared with each other. The different reactivities of silicon chlorides precursors were discussed using the calculated results.

• 한국표면공학회지
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• 제29권6호
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• pp.788-796
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• 1996

$TiO_2$ films prepared by RF magnetron sputtering, electron beam evaporation, ion assisted deposition (IAD) and sol-gel method are prepared on c-Si substrate and vitreous silica substrate respectively. From the transmission spectra of $TiO_2$ films on vitreous silica substrate in the spectral region from 190 nm to 900 nm, k($\lambda$) of $TiO_2$ is obtained. Using k($\lambda$) in the interband transition region the coefficients of the quantum mechanical dispersion relation of an amorphous $TiO_2$ and hence n($\lambda$) including the optically opaque region of above fundamental transition energy are obtained. The spectroscopic ellipsometry spectra of $TiO_2$ films in the spectral region of 1.5-5.0eV are model analyzed to get the film packing density variation versus i) substrate material, ii) film thickness and iii) film growth technique. The complex refractive index change of these $TiO_2$ films versus water condensation is also studied. Film micro-structures by SE modelling results are compared with those by atomic force microscopy images and X-ray diffraction data.

• 반도체디스플레이기술학회지
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• 제10권4호
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• pp.131-138
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• 2011

We fabricated distributed feedback InGaAsP/InP laser diodes for optical fiber communication module and characterized the lasing properties in continuous wave operation. The active layer of 7-period InGaAsP(1.127 eV)/InGaAsP(0.954 eV) multi-quantum well structure was grown by the metal-organic chemical vapor deposition. The grating for waveguide was also fabricated by the implementation of the Mach-Zehender holographic method of two laser beams interference of He- Cd laser and the fabricated laser diode has the dimension of the laser length of $400{\mu}m$ and the ridge width of $1.2{\mu}m$. The laser diode shows the threshold current of 3.59 mA, the threshold voltage of 1.059 V. For the room-temperature operation with the current of 13.54 mA and the voltage of 1.12 V, the peak wavelength is about 1309.70 nm and optical power is 13.254 mW.

• 통합자연과학논문집
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• 제3권4호
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• pp.231-236
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• 2010

Partial charge is an important and fundamental concept which can explain many aspects of chemistry. Since a molecule can be regarded as neclei surrounded by electron cloud, there is no way to define a partial charge accurately. Nevertheless, there have been many attempts to define these seemingly impossible parameters, since they would facilitate the understanding of molecular properties such as molecular dipole moment, solvation, hydrogen bonding, molecular spectroscopy, chemical reaction, etc. Common methods are based on the charge equalization, orbital occupancy, charge density, and electric multipole moments, and electrostatic potential fitting. Methods based on the charge equalization using electronegativity are very fast, and therefore they have been used to study many compounds. Methods to subdivide orbital occupancy using basis set conversion, relies on the notion that molecular orbitals are composed of atomic orbitals. The main idea is to reduce overlap integral between two nuclei using converted orthogonal basis sets. Using some quantum mechanical observables like electrostatic potential or charge multipole moments. Using potential grids obtained from wavefunction, partial charges can be fitted. these charges are most useful to describe intermolecular electrostatic interactions. Methods to using dipole moment and its derivatives, seems to be sensitive the level of theory, Dividing electron density using density gradient being the most rigorous theoretically among various schemes, bears best potential to describe the charge the most adequately in the future.

• Bulletin of the Korean Chemical Society
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• 제30권12호
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• pp.2973-2978
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• 2009

The decomposition reaction mechanism of $CH_3CF_2O$ radical formed from hydroflurocarbon, $CH_3CHF_2$ (HFC-152a) in the atmosphere has been investigated using ab-initio quantum mechanical methods. The geometries of the reactant, products and transition states involved in the decomposition pathways have been optimized and characterized at DFT-B3LYP and MP2 levels of theories using 6-311++G(d,p) basis set. Calculations have been carried out to observe the effect of basis sets on the optimized geometries of species involved. Single point energy calculations have been performed at QCISD(T) and CCSD(T) level of theories. Out of the two prominent decomposition channels considered viz., C-C bond scission and F-elimination, C-C bond scission is found to be the dominant path involving a barrier height of 12.3 kcal/mol whereas the F-elimination path involves that of a 28.0 kcal/mol. Using transition-state theory, rate constant for the most dominant decomposition pathway viz., C-C bond scission is calculated at 298 K and found to be 1.3 ${\times}$ 10$^4s{-1}$. Transition states are searched on the potential energy surfaces involving both decomposition channels and each of the transition states are characterized. The existence of transition states on the corresponding potential energy surface are ascertained by performing Intrinsic Reaction Coordinate (IRC) calculation.

• 전자공학회논문지A
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• 제30A권3호
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• pp.76-87
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• 1993

We present a self-consistent, 2-dimensional solution of the Poisson and Sch rodinger equation based on the finite difference method with a nonuniform mesh size for a AlGaAs/GaInAs/GaAs HEMT devide. During the interative self-consistent calculation, however, we calculate Schrodinger equation only a some region of device, not a fully region in order to save the moemory and the speed-up of computation, and then use the approximated data for the other region using by a interpolation method with a given values. Also we adopt the proper matrix transformation method that allows preservation of the symmetric, form of the discretized Schrodinger equation, even with the use of a nonumiform mesh size, therefor, can reduce the computation time. We calculate the wavefunction, eigenstates and the electron concentration uat channel layer nder the thermal equilibrium and the biased conditions, respectively. Also,these parameters are used to solve 2-dimensional tdistribution of potential in he entire region of device. It is proved that the method is very efficient in finding eigenstages extending over relatively large spatial area without loss of accuracy. So, it can be used rather easily in any sarbitrary modulation doped utucture.

• Journal of Magnetics
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• 제21권2호
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• pp.159-163
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• 2016

Antiferromagnet (AFM)/ferromagnet (FM) bilayer structures are widely used in the magnetic devices of sensor and memory applications, as AFM materials can induce unidirectional anisotropy of the FM material via exchange coupling. The strength of the exchange coupling is known to be sensitive to quality of the interface of the AFM/FM bilayers. In this study, we utilize proton irradiation to modify the interface structures and investigate its effect on the magnetic properties of AFM/FM structures, including the exchange bias and magnetic thermoelectric effect. The magnetic properties of IrMn/CoFeB structures with various IrMn thicknesses are characterized after they are exposed to a proton beam of 3 MeV and $1{\sim}5{\times}10^{14}ions/cm^2$. We observe that the magnetic moment is gradually reduced as the amount of the dose is increased. On the other hand, the exchange bias field and thermoelectric voltage are not significantly affected by proton irradiation. This indicates that proton irradiation has more of an influence on the bulk property of the FM CoFeB layer and less of an effect on the IrMn/CoFeB interface.

• 한국광물학회지
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• 제23권2호
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• pp.161-170
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• 2010

많은 미생물들이 수용성 망간이온($Mn^{2+}$)을 불용성인 산화망간($Mn^{4+}$) 광물로 산화 침전시키는데, 이와 같은 생물학적 산화반응은 비생물학적 산화반응보다 훨씬 빠르게 일어난다. 이처럼 미생물에 의해 생성된 바이오 산화망간 광물은 표면의 강한 흡착성과 산화환원 반응을 통해 생지구화학 순환과 환경오염물질의 생물흡수도에 큰 역할을 한다. 본 논평은 양자역학의 밀도범함수 이론에 바탕을 둔 전산모사를 이용하여 산화망간 광물 표면의 독성금속 흡착의 자세한 기작과 망간원자 빈자리의 광화학적 역할을 새롭게 밝힌 최근 연구결과를 소개한다.

• 천문학회지
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• 제47권5호
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• pp.187-193
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• 2014

Recent cosmological observations indicate that the reionized universe may have started at around z = 6, where a significant suppression around $Ly{\alpha}$ has been observed from the neutral intergalactic medium. The associated neutral hydrogen column density is expected to exceed $10^{21}cm^{-2}$, where it is very important to use the accurate scattering cross section known as the Kramers-Heisenberg formula that is obtained from the fully quantum mechanical time-dependent second order perturbation theory. We present the Kramers-Heisenberg formula and compare it with the formula introduced in a heuristic way by Peebles (1993) considering the hydrogen atom as a two-level atom, from which we find a deviation by a factor of two in the red wing region far from the line center. Adopting a representative set of cosmological parameters, we compute the Gunn-Peterson optical depths and absorption profiles. Our results are quantitatively compared with previous work by Madau & Rees (2000), who adopted the Peebles approximation in their radiative transfer problems. We find deviations up to 5 per cent in the Gunn-Peterson transmission coefficient for an accelerated expanding universe in the red off-resonance wing part with the rest wavelength ${\Delta}{\lambda}{\sim}10{\AA}$.

• 한국전기전자재료학회논문지
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• 제22권6호
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• pp.466-468
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• 2009

The metal-insulator-silicon (MIS) capacitors with $SiO_2$ and high-k dielectrics ($HfO_2$, $Al_2O_3$) were fabricated, and the current-voltage characteristics were investigated. Especially, an effective barrier height between metal gate and dielectric was extracted by using Fowler-Nordheim (FN) plot and Direct Tunneling (DT) plot of quantum mechanical(QM) modeling. The calculated barrier heights of thermal $SiO_2$, ALD $SiO_2$, $HfO_2$ and $Al_2O_3$ are 3.35 eV, 0.6 eV, 1.75 eV, and 2.65 eV, respectively. Therefore, the performance of non-volatile memory devices can be improved by using engineered tunnel barrier which is considered effective barrier height of high-k materials.