• 대한화학회지
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• 제40권4호
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• pp.264-272
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• 1996

ASED-MO(Atom Superposition and Electoron Delocalization-Molecular Orbtal)이론을 이용하여 Pt(lll)과 ${\upsilon}-Al_2O_3$(III) 표면 모델에 대한 계면간 결합 세기에 관해 연구하였다. $Al^{3+}$의 환원 정도가는 알루미나 뭉치(cluster)에 대한 산소와 알루미늄의 비에 따라 달라진다. $Al^{3+}$의 환원 정도가 크면 클수록 Pt 원소들에 대해 강한 결합 에너지를 가진다. 산소로 덮인 ${\gamma}-Al_{20}_3$(III) 표면과 Pt 계면간 결합이 매우 약하지만 백금의 산화 조건에서의 결합은 매우 강하다. 백금 표면에서 부분적으로 빈 O-2p 띠(band)와 $Al^{3+}$ dangling surface orbital로 전하가 이동하는 전하이동(charge transfer) 메카니즘에 의해 백금과 알루미나 계면간 결합은 가능하다.

• 한국진공학회지
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• 제16권5호
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• pp.322-329
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• 2007

800 K와 1000 K에서 ordered $Ni_3Al(111)$ 합금표면과 산소기체와의 상호작용을 LEED, STM, HRBBLS, UPS, 그리고 PAX를 이용 고찰하였다. 산소가 없는 깨끗한 $Ni_3Al(111)$ 표면에 대한 LEED 측정결과 어떤 "$2{\times}2$" 패턴이 관측되었는데, 이는 규칙적인 벌크와 같은 terminated 표면구조를 가짐을 의미한다. 그러나 800 K로 유지된 같은 표면에 산소를 흡착시킨 후 LEED를 관찰하면 ($1{\times}1$) substrate spots 외에 산소에 의해 유발된 lattice spacing이 $2.93\;{\AA}$인 어떤 회전되지 않은 superstructure가 얻어졌다. 이를 자세히 규명하기 위해 HREELS와 UPS를 측정한 결과 threefold aluminum 자리에 산소들이 화학흡착됨을 알 수 있었고, 아울러 PAX 측정결과 흡착된 overlayer들이 어떤 oxide island 형태로 성장됨을 보여주었다. 그러나 실질적으로 $Ni_3Al(111)$ 표면에서는 그러한 자리들이 유효하지 않기 때문에 우리들은 oxide island 생성은 $Ni_3Al(111)$ 표면에 있는 aluminum overlayer들을 덮음으로써 성장되고 있다고 결론을 내렸다. 한편, 1000 K로 유지된 $Ni_3Al(111)$ 표면에 산소를 노출하면 ${\gamma}'-Al_2O_3$ 구조가 성장됨을 HREELS와 STM 측정결과로부터 알 수 있었다. 그리고 HREELS 측정결과, 800 K에서 산화는 매우 특이한 양상을 띄며 일어나고 있으나 정확하게 $Al_2O_3$ overlayer가 형성되는 경우와는 일치하지 않음을 알 수 있었고, 1000 K에서 산소노출 후 얻은 STM 영상 역시 oxide island 들이 형성에 기인된 어떤 "Strawberry" 구조를 보여주었으나 정확하게 $Al_2O_3$ overlayer가 형성되었는지는 규명할 수 없었다. 결론적으로, 800 K와 1000 K에서 $Ni_3Al(111)$ 합금표면위의 산소 상호작용결과 어떤 aluminum oxide overlayer의 island들이 성장됨을 확인할 수 있었다.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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• pp.156.2-156.2
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• 2016

The variation of the surface structure of the Al adsorbed W(110) planes according to the coverage and the substrate temperature has been investigated using LEED and ISS When the Al atoms were adsorbed on the W(110) surface at room temperature, a p($1{\times}1$) of the fcc (111) face were found at the coverage higher than 4 ML. When the substrate temperature was kept at 900 K during Al adsorption and the coverage was 1.0 ML, the surface revealed a p($1{\times}1$) of the bcc(110) face and when the coverage is 1.5 ML, the surface showed a p($1{\times}1$) of the bcc (110) face together with a p($1{\times}1$) double domain structure (fcc (111) face) rotated ${\pm}3^{\circ}$ from the [100] direction of the W(110) surface. When Al atoms were adsorbed on the W(110) surface at the substrate temperature of 1000 K and the coverage was higher than 1.0 ML, the surface revealed a p($1{\times}1$) of the bcc(110) face together with p($1{\times}1$) double domain structure(fcc(111) face) rotated ${\pm}3^{\circ}{\sim}5^{\circ}$ from the [100] direction of the W(110) surface. When Al atoms were adsorbed on the W(110) surface at the substrate temperature of 1100 K and the coverage was 0.5 ML, Al atoms formed a p($2{\times}1$) double domain structure When the coverage was 1.0 ML, the double domain hexagonal structure (fcc(111) face) rotated ${\pm}5^{\circ}$ from the [100] direction of the W(110) surface and another distorted hexagonal structure was found. Low-energy electron diffraction results along with ion scattering spectroscopy results showed that the Al atoms followed the Volmer-Weber growth mode at high temperature.

• 한국표면공학회:학술대회논문집
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• 한국표면공학회 2006년도 춘계학술발표회 초록집
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• pp.111-111
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• 2006

• Current Applied Physics
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• 제18권12호
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• pp.1528-1533
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• 2018

The trajectories of adsorption and dissociation process of $O_2$ on the Al (111) surface were studied by the spinpolarized ab initio molecular dynamics method, and the adsorption activation energy was clarified by the NEB method with hybrid functionals. Three typical dissociation trajectories were found through simulation of $O_2$ molecule at different initial positions. When vertically approaches to the Al surface, the $O_2$ molecule tends to rotate, and the activation energy is 0.66eV. If $O_2$ molecule does not rotate, the activation energy will increase to 1.43 eV, and it makes the O atom enter the Al sublayer eventually. When the $O_2$ molecules parallel approach to the Al surface, there is no activation energy, due to the huge energy released during the adsorption process.

• Bulletin of the Korean Chemical Society
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• 제35권7호
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• pp.2013-2018
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• 2014

The adsorption and decomposition of trimethylene oxide ($C_3H_6O$) molecule on the Al(111) surface were investigated by the generalized gradient approximation (GGA) of density functional theory (DFT). The calculations employed a supercell ($6{\times}6{\times}3$) slab model and three-dimensional periodic boundary conditions. The strong attractive forces between $C_3H_6O$ molecule and Al atoms induce the C-O bond breaking of the ring $C_3H_6O$ molecule. Subsequently, the dissociated radical fragments of $C_3H_6O$ molecule oxidize the Al surface. The largest adsorption energy is about -260.0 kJ/mol in V3, V4 and P2, resulting a ring break at the C-O bond. We also investigated the decomposition mechanism of $C_3H_6O$ molecules on the Al(111) surface. The activation energies ($E_a$) for the dissociations V3, V4 and P2 are 133.3, 166.8 and 174.0 kJ/mol, respectively. The hcp site is the most reactive position for $C_3H_6O$ decomposing.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2009년도 추계학술대회 논문집
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• pp.111-111
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• 2009

In this work, we discuss simulation of surface acoustic wave device using Comsol Multiphysics. The structure SAW device based on piezoelectric thin film aluminum-nitride (AlN) on silicon was simulated. Some parameters of SAW device such as surface velocity, displacement of piezoelectric thin film were evaluated by software. Many modes and shapes of wave are also discussed in this paper. For evaluation physical parameters of AlN piezoelectric layer, the SAW resonator was modeled and simulation results were also compared with experiment results. we simulated arid evaluated the surface Rayleigh wave of AlN thin film on silicon substrate. Results simulation and experiment showed the surface velocity of AlN thin film was about 5200 m/s and shape of surface wave was also displayed. This paper has also proposed as method to study SAW characteristic of piezoelectric thin film and found out measurement values accurately of film such as stiffness matrix, piezoelectric matrix. These values are very important in calculation and design SAW device or MEMS device based on AlN piezoelectric layer.

• 한국세라믹학회지
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• 제31권3호
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• pp.249-256
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• 1994

By surface structure and X-ray topographic observation, growth mechanism of NAB single crystal grown by TSSG technique using a BaB4O7 flux was studied. Surface structure of grown crystals were investigated by optical microscope. Growth history and crystal defects included within grown crystal were investigated using X-ray topography. The {001} faces were grown by 2-D nucleation growth. As decreasing cooling rate, growth mechanism of {111} and {11} was changed from 2-D nucleation growth to the growth by screw dislocation. Only surface striations developed parallel to a-axis were observed on {010} faces. Growth sector of NAB crystals were divided into {001}, {111}, {010}, {021}, {11}. The inclusion which was usually trapped between {001} faces was investigated.

• 대한전기학회:학술대회논문집
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• 대한전기학회 2003년도 하계학술대회 논문집 C
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• pp.1577-1579
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• 2003

AlN thin films are prepared on Si (111) substrate by RF magnetron sputtering. Two-step deposition method is proposed to obtain AlN thin films with high c-axis (002)-TC value and low surface roughnesses. For all the deposited AlN films, the c-axis (002)-orientation, surface mophology, and roughness are characterized in terms of deposition conditions FEAR devices with Al/AlN/Mo/Si(111) configuration are also fabricated. From the frequency response characteristics, the return loss and electromechanical coupling contant($k_t{^2}$) are estimated.

• 한국재료학회:학술대회논문집
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• 한국재료학회 2003년도 추계학술발표강연 및 논문개요집
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• pp.165-165
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• 2003

The growth of GaN on Si is of great interest due to the several advantages low cost, large size and high-quality wafer availability as well as its matured technology. The crystal quality of GaN is known to be much influenced by the surface pretreatment of Si substrate [1]. In this work, the properties of GaN overlayer grown on ion implanted Si(111)and bare Si(111) have been investigated. Si(111) surface was treated ion implantation with 60KeV and dose 1${\times}$10$\^$16//$\textrm{cm}^2$ prior to film growth. GaN epilayers were grown at 1100$^{\circ}C$ for 1 hour after growing AlN buffer layers for 15-30 minutes at 1100$^{\circ}C$ with metal organic chemical vapor deposition (MOCVD). The properties of GaN epilayers were evaluated by X-Ray Diffraction (XRD), Scanning electron microscope (SEM) Photoluminescence (PL) at room temperature and Hall measurement The results showed that the GaN on ion implanted Si(111) markedly affected to the structural, optical and electrical characteristic of GaN layers.