• Korean Journal of Metals and Materials
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• v.46 no.12
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• pp.830-834
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• 2008

NiSi is currently being employed in 45 nm CMOS devices as a contact material. We employed a first principles calculation to understand the movements of atoms when Co, Pd, and Pt were added to tetragonal-NiSi on Si (001). The Ni atoms in the tetragonal-NiSi/Si (001) favored away from the original positions along positive c-direction in a systematic way during the energy minimization. Two different Ni sites were identified at the interface and the bulk, respectively. The Ni site at the interface farther away from the interface was more favorable for Pd and Pt substitution. Co, however, prafered the bulk site to the interface site, unlike Pd and Pt.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2001.07a
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• pp.1050-1053
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• 2001

There is great interest in developing magnetoresistance(MR) sensor, using ferromagnetic, electrically non-magnetic conducting and antiferromagnetic films, especially for the use in weak magnetic fields. Here, we report single and Wheatstone-bridge type of MR sensors made in Si(001)/HiO(300$\AA$)/NiFe bilayers. Angular dependence of MR profiles was measured in Si(001)/NiO(300$\AA$)/NiFe(450$\AA$) films as a function of an angle between current and applied field direction, also, linearity was determined. AMR characteristics of single MR sensors was well explained with single domain model. Good linearity in 45$^{\circ}$Wheatstone-bridge type of MR sensors consisting of 4 single MR sensors made in Si(001)/NiO(300$\AA$)/NiFe(450$\AA$) was shown in the range of about $\pm$50 Oe.

• Journal of the Korean Vacuum Society
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• v.7 no.1
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• pp.5-10
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• 1998

The geometric structure of dimer atoms on clean Si(001) surface was studied using CAICISS. We confirmed that dimer atoms were certainly buckled, and also found that asymmetry (2$\times$1) and c(4$\times$2) were coexisted. The intradimer bond length and the buckling angle of a dimer measured by CAICISS system were 2.3$\pm$0.1 $\AA$ and 18$\pm$$1^{\circ}$, respectively.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.149-149
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• 2000

Alkali and alkali-earth metal on si(001) surface has been investigated widly for both scientific and technological aspects. In particular, the Ba/Si(001) system has been studied by several groups and they reported many phases such as (2$\times$3), (2$\times$4) and c(6$\times$2) 표 LEED and AES for various temperature and coverages. But there has not been the result of the atomic structure for these phases. Recently some works about the atomic structure of Ba/Si(001) at only room temperature were presented. In this study, we investigated 3-dimensional atomic structure and growth mode of Ba layer on si(001) by coaxial impact collision ion scattering spectroscopy (CAISS) at room temperature and high temperature.

• Korean Journal of Materials Research
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• v.20 no.9
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• pp.457-462
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• 2010

Adsorption of a water molecule on a Si (001) surface and its dissociation were studied using density functional theory to study the distribution of -OH fragments on the Si surface. The Si (001) surface was composed of Si dimers, which buckle in a zigzag pattern below the order-disorder transition temperature to reduce the surface energy. When a water molecule approached the Si surface, the O atom of the water molecule favored the down-buckled Si atom, and the H atom of the water molecule favored the up-buckled Si atom. This is explained by the attractions between the negatively charged O of the water and the positively charged down-buckled Si atom and between the positively charged H of the water and the negatively charged up-buckled Si atom. Following the adsorption of the first water molecule on the surface, a second water molecule adsorbed on either the inter-dimer or intra-dimer site of the Si dimer. The dipole-dipole interaction of the two adsorbed water molecules led to the formation of the water dimer, and the dissociation of the water molecules occurred easily below the order-disorder transition temperature. Therefore, the 1/2 monolayer of -OH on the water-terminated Si (001) surface shows a regular distribution. The results shed light on the atomic layer deposition process of alternate gate dielectric materials, such as $HfO_2$.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.301-301
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• 2011

We present theoretical investigations of the self-assembled growth of one-dimensional (1D) molecular lines directed across the dimer rows on the H-terminated Si(001) surface [1]. Based on density-functional theory calculations, a new growth mechanism of the 1D acetylacetone line is proposed [2], which involves the radical chain reaction initiated at two dangling-bond sites on one side of two adjacent Si dimers. It is also enabled that, if an H-free Si dimer were employed as the initial reaction site, a 1D acetylacetone line can grow along the dimer row. Our findings represent the first insight into the growth of 1D molecular lines not only across but also along the dimer rows on the H-terminated Si(001) surface.

• Korean Journal of Materials Research
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• v.11 no.2
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• pp.88-93
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• 2001

The thermal behavior and the crystallographic characteristics of an epitaxial $C49-TiSi_2$ island formed in a Si (001) substrate by $N_2$, treatment were investigated by X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM). It was found from the analyzed results that the epitaxial $C49-TiSi_2$ was thermally stable even at high temperature of $1000^{\circ}C$ therefore did not transform into the C54-stable phase and did not deform morphologically. HRTEM results clearly showed that the epitaxial $TiSi_2$ phase and Si have the orientation relationship of (060)[001]$TiSi_2$//(002)[110]Si, and the lattice strain energy at the interface was mostly relaxed by the formation of misfit dislocations. Furthermore, the mechanism on the formation of the epitaxial $_C49-TiSi2$ in Si and stacking faults lying on the (020) plane of the C49 Phase were discussed through the analysis of the HRTEM image and the atomic modeling.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.11 no.4
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• pp.267-273
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• 1998

The band structures of $Si_{1-x}Ge_x$ layers grown on $Si_{1-y}Ge_y$ substrate are calculated using k$\cdot$p and strain Hamiltonians. The hole drift mobilities in the plane direction are then calculated by taking into account the screening effect and the density-of-states of the impurity band. When $Si_{1-x}Ge_x$ is grown on Si substrate, the mobilities of (110) and (111) $Si_{1-x}Ge_x$ layers are larger than that of (001) $Si_{1-x}Ge_x$. However, due to the large defect and surface scattering, (110) and (111) $Si_{1-x}Ge_x$ layers may not be useful for the development of the fast device. Meanwhile, when Si is grown on $Si_{1-y}Ge_y$ substrate, the mobilities of (001) and (110) Si layers are greatly enhanced. Based on the amount of defect and the surface scattering, it is expected that Si grown on (001) $Si_{1-y}Ge_y$ substrate, where the Ge contents is larger than 10%(y>0.1), has the highest mobility.

• 한국전기화학회:학술대회논문집
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• 2003.10a
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• pp.44-44
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• 2003

• Journal of the Korean Ceramic Society
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• v.46 no.4
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• pp.425-428
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• 2009

We performed a density functional theory study to investigate the interaction of DEMS (diethoxymethylsilane) with the H-terminated Si (001) surface. The optimum structure of DEMS was first calculated by a first principles study. The dissociation probability of the O-C bond of DEMS was higher than the other seven bonds based on the bond energy calculation. When the fragmented DEMS groups reacted with the H-terminated Si (001) surface, it was the most favorable among the eight reactions to form a bond between the Si atom on the surface and the O atom of a fragmented DEMS group (($C_2H_5O$)Si($CH_3$)(H)-O-) by forming a $C_2H_6$ as by-product.