• 한국정보디스플레이학회:학술대회논문집
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• 2009.10a
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• pp.713-715
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• 2009

Preferred orientation of MgO protection layer is controlled via adjusting diffusion of adatom between (111) plane with highest neighbor atoms and (200) plane with lowest neighbor atoms. The diffusion of adatom could be modulated by the factors such as substrate temperature, deposition rate, and extra energy applied on adatom like ion beam energy.

• Bulletin of the Korean Chemical Society
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• v.32 no.10
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• pp.3614-3617
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• 2011

A density functional theory method with the local basis set was employed to perform slab calculations to study thiolate-induced surface reconstruction structures of butylthiolates (ButS) with c($4{\times}2$) superlattice of the Au(111) surface. The slab calculations indicate that the most stable adsorption structure is the ButS-Au (adatom)-SBut complex form, which is in good agreement with the reported experiments and theoretical results for thiolates with shorter alkyl chains. The cis form of ButS-Au (adatom)-SBut motifs is preferred by 0.11 eV with respect to the trans form, and by 0.15 eV over the mixed cis-trans configurations due to the steric hindrance between adjacent butyl groups. It appears that the motif of Au adatom on the Au(111) surface is favored even for butylthiolate.

• Bulletin of the Korean Chemical Society
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• v.17 no.2
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• pp.192-198
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• 1996

We present a theoretical formulation of diffusion process on solid surface based on multidimensional transition state theory (TST). Surface diffusion of single adatom results from hopping processes on corrugated potential surface and is affected by surface vibrations of surface atoms. The rate of rare events such as hopping between lattice sites can be calculated by transition state theory. In order to include the interactions of the adatom with surface vibrations, it is assumed that the coordinates of adatom are coupled to the bath of harmonic oscillators whose frequencies are those of surface phonon modes. When nearest neighbor surface atoms are considered, we can construct Hamiltonians which contain terms for interactions of adatom with surface vibrations for the well minimum and the saddle point configurations, respectively. The escape rate constants, thus the surface diffusion parameters, are obtained by normal mode analysis of the force constant matrix based on the Hamiltonian. The analysis is applied to the diffusion coefficients of W, Ir, Pt and Ta atoms on the bcc(110) plane of W in the zero-coverage limit. The results of the calculations are encouraging considering the limitations of the model considered in the study.

• Journal of the Korean Vacuum Society
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• v.15 no.1
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• pp.37-44
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• 2006

The homoepitaxy of Si(5 5 12) at $495^{\circ}C$ has been studied by Scanning Tunneling Microscopy under ultrahigh vacuum. A Si-dimer is the basic building-block and preferentially adsorbs on a unique site, that is, the Si-dimer/adatom site at the (337) and the (225) subsections within the Si(5 5 12) unit cell. The Si(5 5 12) unit cell is faceted to $3\times(337)$ subsections filled with Si-addimers and $1\times(113)$ subsection. In this step the tetramer at the other (337) section within the unit cell is transformed to a dimer/adatom site which can accept Si-dimers. Each (337) section is faceted to $1\times(112)\;and\;1\times(113)$, and then finally the unit cell of Si(5 5 12) is faceted to $3\tiems(112)\;and\;4\times(113)$ and forms the facet of effective height, $2.34{\AA}$. In this step, mutual transformation between the honeycomb chain and the dimer/adatom occurs. Finally, the valley between (112) and (113) facets is filled. If once the last step is completed, the uniform and planar Si(5 5 12) terrace is recovered. From the present study, therefore, it can be concluded that the homoepitaxy on Si(5 5 12) is periodically achieved and such growth mode is quite unique since faceting of the substrate-unit-cell plays a critical role for controlling uniformity of the overlayer.

• Bulletin of the Korean Chemical Society
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• v.31 no.11
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• pp.3399-3402
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• 2010

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.243-245
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• 2013

Topological insulator (TI) has non-trivial metallic surface states and has provoked many studies of property of this metarial. One of TI, $Bi_2Se_3$ is the promising metarial due to application of quantum devices. We investigate the effect of Ag adatom in the $Bi_2Se_3$ (111) surface. The silver atom prefers to locate within the vdW gap between the QLs rather than on the top surface. The effect of Ag adsorption is the rise of the Fermi level implying that the adsorbed Ag atoms behave like electron donors.

• Journal of the Korean Vacuum Society
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• v.17 no.5
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• pp.381-386
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• 2008

Adatom kinetics on the surfaces of Co overlayers, prepared on the W(110) surface, was studied with scanning tunneling microscopy. By counting the number-density of the adatom-islands, we estimated the ratio of adatom diffusion coefficients. The ratio $D_{W(110)}:D_{1ML\;Co}:D_{2ML\;Co}$ was measured to be 1 : 125 : 33000 at room temperature, where $D_{W(110)},\;D_{1ML\;Co}$, and $D_{2ML\;Co}$ are the diffusion coefficients on bare W(110) surface, on one-monolayer Co overlayer, and on two-monolayers Co overlayers, respectively. An increased diffusion coefficient on two-ML Co overlayers, relative to that on one-ML Co overlayers, was explained with the heteroepitaxial strain effect.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.147-147
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• 2000

Chemisorption of oxygen molecules on the Si(111)-(7x7) surface has been studied extensively as a model for the initial-stage oxidation of the surface. The basic step to the surface oxidation is the dissociation of the adsorbed O2 molecules, but the dissociation procedure and the atomic structure of the reaction products still remains as a subject of debates. We present here density-functional theory calculations on the initial-stage oxidation states of the Si adatom site for all possible dissociation configurations that can be generated by multiple O2 reactions. We determine the equilibrium structures and analyze their electronic and vibrational properties in comparison with measured UPS, XPS, and EELS spectra. The O(ad) atom bonded on top of the Si adatom is always less stable than the O(ins) atom inserted into one of the adatom backbonds. Our electronic and vibrational analysis demonstrates further that the O(ad) and O(ins) atoms account well for the metastable and stable features in previous experiments, respectively. Moreover, the calculated decay pathways of the metastable structures and the comparison of the calculated O ls core-level shifts with XPS data provides a convincing argument in unambiguously identifying the experimental metastable and stable structures, thereby making it possible to build a correct atomic-scale picture of the initial-stage oxidation process on this surface.

• Journal of the Korean Vacuum Society
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• v.15 no.2
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• pp.152-161
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• 2006

In order to test the capacity of Si(5 5 12) as a potential template for nanowire fabrication, Bi/Si(5 5 12) system has been studied by STM. With Bi deposition, Si(5 5 12) has been transformed to Si(3 3 7) terrace. Initially Bi atoms selectively replace Si-dimers and Si-adatoms with Bi-dimers and Bi-adatoms, respectively. With extended Bi adsorption, Bi-dimers adsorb on the pre-adsorbed Bi-dimers and Bi-atoms. These dimers in the second layer form Bi-dimer pairs having relatively stable $p^3$ bonding, Finally, the Bi-dimer adsorbs on the Bi-dimers in the second layer and saturates. It can be deduced that both surface transformation to (3 3 7) and site-selective Bi adsorption are possible due to substrate-strain relaxation through inserting Bi atoms into subsurface of Si substrate.

• Journal of the Korean Society of Industry Convergence
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• v.6 no.3
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• pp.201-205
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• 2003

The effects of adsorption and desorption of alkali-metals on Si(111) surface were investigated by using AES and RHEED-system. The adsorption system is a fundamental interest because of its unique electronic properties such as measurement of work function change, adatom-core level shift. It was found that the growth node of K on Si(111) surface was layer by layer growth and the saturation coverage was 2.0ML at room temperature. Superstructure changes on Si(111) surface according to the alkali-metal thickness and substrate temperatures were accurately defined. By applying the isothermal desorption method, the desorption energies of Li/Si(111) and K/Si(111) surfaces was measured. On Li/Si(111) and K/Si(111) surfaces, the desorption energies were 3.07 eV, 2.19 eV respectively.