• Applied Science and Convergence Technology
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• v.25 no.2
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• pp.28-31
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• 2016

The structural and the electronic properties of pentacene on modified Si (001) were investigated using scanning tunneling microscopy (STM), atomic force microscopy (AFM) and ultraviolet photoelectron spectroscopy (UPS). Dodecane was used to modify Si (001) substrates and then pentacene was deposited on dodecane/Si (001). Our STM results show a uniform distribution of aggregated dodecane molecules all over the clean Si (001). The surface structure of pentacene on dodecaene/Si (001) examined by AFM is analogous to that of pentacene on $SiO_2$. The UPS data showed that the work function of pentacene on clean Si (001) and pentacene on modified Si (001) with dodecane was 6.41 and 5.57 eV, respectively. Our results prove that dodecane results in the work function difference between pentacene on clean Si (001) and pentacene on dodecane/Si (001).

• Journal of the Semiconductor & Display Technology
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• v.6 no.4
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• pp.65-68
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• 2007

An epitaxial NiSi structure on Si (001) substrate was studied by using density functional theory (DFT). Orhorhombic and B2-NiSi structures were compared first. B2 structure was further considered as it has same crystal structure as Si and the lattice mismatch between B2 and Si is small, compared to orthorhombic-NiSi. The lattice parameters of x- and y-direction in B2-NiSi structure were modified to match with those in Si (001). The size reduction of the lattice parameter of B2-NiSi to match with that of Si increased the lattice parameter of z-direction by 10.5%. Therefore, we propose that an optimum structure of NiSi for epitaxial growth on Si (001) is a tetragonal structure.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2001.05b
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• pp.79-83
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• 2001

In order to compare the barrier properties of Ta-N/Si(001) with those of Ta-N/Ta/Si(001), we studied structural properties of films grown by RF magnetron sputtering with various $Ar/N_2$ ratios. To evaluate the barrier properties, the samples were annealed in a vacuum chamber. Ex-situ x-ray scattering measurements were done using an in-house x-ray system. With increasing nitrogen ratio in Ta-N/Si(001), the barrier property of Ta-N/Si(001) was enhanced, finally failed at $750^{\circ}C$ due to the crystallization and silicide formation. Compared with Ta-N/Si(001), Ta-N/Ta/Si(001) forms silicides at $650^{\circ}C$. However it does not crystallize even at $750^{\circ}C$. With increasing nitrogen composition in Ta-N/Ta/Si(001), the formation of tantalum silicide was reduced and the surface roughness was improved. To observe the surface morphology of Ta-N/Ta/Si(001) during annealing, we performed an in-situ x-ray scattering experiment using synchrotron radiation of the 5C2 at Pohang Light Source(PLS). Addition of Ta layer between Ta-N and Si(001) improved the surface morphology and reduced the surface degradation at high temperatures. In addition, increasing $N_2/Ar$ flow ratio reduced the formation of tantalum silicide and enhanced the barrier properties.

• Proceedings of the Korean Magnestics Society Conference
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• 1999.04a
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• pp.100-101
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• 1999

• Korean Journal of Materials Research
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• v.18 no.9
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• pp.482-485
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• 2008

Tetragonal-$Ni_{1-x}Pd_x$Si/Si (001) structure was studied by using density functional theory (DFT). An epitaxial interface between $2{\times}2{\times}4$ (001) tetragonal-NiSi supercell and $1{\times}1{\times}2$ (001) Si supercell was first constructed by adjusting the lattice parameters of B2-NiSi structure to match those of the Si structure. We chose Ni atoms as a terminating layer of the B2-NiSi; the equilibrium gap between the tetragonal-NiSi and Si was calculated to be 1.1 ${\AA}$. The Ni atoms in the structure moved away from the original positions along the z-direction in a systematic way during the energy minimization. Two different Ni sites were identified at the interface and the bulk, respectively. The two Ni sites at the interface have 6 and 7 coordination numbers. The Ni sites with coordination number 6 at the interface were located farther away from the interface, and were more favorable for Pd substitution.

• Journal of the Semiconductor & Display Technology
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• v.7 no.3
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• pp.35-39
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• 2008

We study the interaction of acetone molecule $[(CH_3)_2CO]$ on Si(001) surface using density functional theory. An acetone molecule is adsorbed on a Si atom of the Si dimer of the Si(001) surface. The adsorption of the acetone molecule on the Si atom at lower height between the two Si atoms of the dimer is more favorable than that on the Si atoms at upper height. Then we calculate an energy variation of dissociation and four-membered ring structures of the acetone molecule adsorbed on the Si surface. Total energy difference between the two structures is about 0.05 eV, indicating that the two structures are almost equally stable. Energy barrier exists when a hydrogen atom is dissociated and adsorbed on the other Si atom of the dimer, while energy barrier does not exist when the adsorbed acetone molecule changes to four-membered ring structure, except for the rotation of the acetone molecule along z-direction. Therefore, four-membered ring structure is kinetically more favorable than the dissociation structure when the acetone molecule is adsorbed on the Si(001) surface.

• Journal of the Korean Vacuum Society
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• v.8 no.4B
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• pp.519-523
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• 1999

Epitaxial thickness $t_e(T_s)$ of Si films grown at the substrate temperature $T_s$=80~30$0^{\circ}C$ by ultra-high vacuum ion-beam sputter deposition onto nominally-singular, [100]-miscut Si(001) was measured. $t_e(T_s)$ values of films grown on vicinal Si(001) substrates were decreases compared to those of films grown on nominally-singular Si(001). Evolution of surface roughness measured by atomic force microscopy of films grown at $300^{\circ}C$ showed that the increases step density in vicinal substrates increases the tendency toward unstable growth resulting in larger surface roughness, which in turn decreases te.

• Journal of the Semiconductor & Display Technology
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• v.7 no.2
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• pp.45-48
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• 2008

An epitaxial $\beta-FeSi_2$ structure on Si (001) substrate was calculated by using density functional theory (DFT). Unit cell of orthorhombic $\beta-FeSi_2$ and $\sqrt{2}\times\sqrt{2}\times2$ supercell were calculated to find the energetically favorable structures first. The $\chi$- and y-direction axes of $\beta-FeSi_2$ were changed into y- and z-direction axes to match its structure with that of Si, to minimize the lattice mismatch between $\beta-FeSi_2$ and Si. Distance between the Si (001) surface and the $\beta-FeSi_2$ surface was varied to find an optimum distance between them, resulting in 0.825 $\AA$.

• Applied Microscopy
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• v.24 no.4
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• pp.123-131
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• 1994

In this study the initial stage nucleation and growth of Ni silicide on (001) Si by evaporation and furnace annealing have been investigated by transmission electron microscopy. The pressure was $10^{-6}$ Torr during evaporation and annealing. And the annealing temperature to produce $NiSi_2\;was\;800^{\circ}C$. From the evaporated film, $NiSi_2$ nucleus has grown into Si substrate with an epitaxial orientation relationship. Interfaces between $NiSi_2$ and Si were A-type {111} interfaces and {100} $NiSi_2$ interfaces were also observed at the initial stage of nucleation. Ni silicide grew into Si substrate, but the nucleus partly grew into the evaporated film, with no facets, from the nuclei in the Si substrate. $NiSi_2$ nucleus with (111) habit planes was also observed.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.186-186
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• 2011

[100] 방향으로 4$^{\circ}$ 기울어진 Si(001)-2${\times}$1(vicinal surface)을 초고진공하(UHV)에서 청결하게 하고 열처리하면 rebonded-atom을 가진 DB double step과 이 step에 나란한 아홉 개의 dimer를 가진 평균 폭이 4.0 nm인 single-domain의 (001)-2${\times}$1 테라스의 면으로 재구조된다 [그림 a]. 본 연구에서는 이 표면 위에 Sb을 상온에서 증착하여 덮고 후열처리하면(2 ML, 500$^{\circ}C$ 10 분), Sb-dimer가 Si 표면을 한 층 덮고 (001) 테라스의 Sb-dimer 방향이 DA double-step과 수직을 이루는 1${\times}$2 구조를 이룬다는 사실을 STM으로 확인하였다 [그림 b]. 이러한 Sb-passivation의 효과는 표면 Si-dimer의 부분적으로 채워진 dangling-bond를 Sb-dimer의 완전히 채워진 고립쌍(lone-pair)으로 바꿈으로써 표면 자유 에너지를 줄이고, 나아가 계면 Si 층은 bulk에 유사하게 되는 데에 있다. 이 passivation 된 표면은 Ge/Si 등의 heteroepitaxy에 사용할 수 있고, 특히 single-domain을 유지하며 step 방향에 대해 평행인 dimer-row로 이루어져 있어서 원자나 전자의 이동에 비등방적 효과를 증가시킬 것이 예측된다.