• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.372-372
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• 2010

We have investigated adsorption of selenophene on Si(100) at room temperature using high resolution photoemission spectroscopy (HRPES) and near edge X-ray absorption fine structure (NEXAFS) in the partial electron yield (PEY) mode. The Si 2p, C 1s, Se 3d spectra of selenophene on Si(100) show that selenophene is nondissociatively chemisorbed on Si(100)-$2{\times}1$ through [2+2] cycloaddition. NEXAFS has been conducted to characterize the adsorption geometry of selenophene on Si(100). Since the $\pi^*$ orbital of C=C bond show good angular dependence in carbon K-edge NEXAFS spectra, the angle $53{\pm}5^{\circ}$ determined from NEXAFS spectra. This majority structure is consistent with the [2+2] cycloaddition of selenophene to the dimer of the Si(100)-$2{\times}1$ surface.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.369-369
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• 2010

Adsorption and ordering of methionine molecules on Ge(100) surface have been studied using high resolution photoemission spectroscopy and low-energy electron diffraction (LEED) to investigate the adsorption structure as a function of coverage. Analysis of C 1s, S 2p, N 1s, and O 1s core levels reveals quite different according to methionine coverage. We found that the relative population of the two types of thiolates induces a structural change in the ordering from $2\;{\times}\;1$ to $1\;{\times}\;1$. Such an unusual evolution of the methionine adsorption on the Ge(100) surface is discussed in relation to chemical reactions and possible molecular rearrangement on the surface.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.341-341
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• 2010

Electronic structure of Calix adsorbed on epitaxial graphene (EG) was investigated using high resolution photoemission spectroscopy (HRPES). Increasing the deposition of calix molecule, we found that EG becomes n-type doping using secondary edge measurement (work function change). As we observe bonding nature of O 1s peak, we found that single O 1s peak can be clearly distinguished in the spectra indicating equivalent adsorption state. Finally, we were able to control the band gap of EG using valence band spectra as we change the amount of calix molecule. In this study, we will propose the possibility of band gap modulation of EG using calix molecule.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.137-137
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• 2013

The most stable adsorption structures and their corresponding energies of 4-pyridone, 4-hydroxypyridine, 2-pyridone and 2-hydroxypyridine have been investigated by Density Functional Theory (DFT) calculation method and high-resolution photoemission spectroscopy (HRPES). We confirmed that between the two reaction centers of 4- and 2-pyridone, only O atom of carbonyl functional group can act as a Lewis base and thus, O dative bonding structure is the most stable. On the other hand, we clarified that both the two reaction centers (the cyclic N atom and the O atom of hydroxyl functional group) of 4- and 2-hydroxypyridine (tautomers of 4- and 2-pyridone) can successfully function as a Lewis base. Through the interpretation of the N 1s and O 1s core level spectra obtained using HRPES, we could confirm the electronic structures and bonding configurations of these molecules with a coverage dependence on the Ge(100) surface.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.135-135
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• 2013

The electronic and adsorption structures of Mg and p-tert-butylcalix[4]arene (p-TBCA) adsorbed onto a Ge(100) surface under a variety of sample conditions were characterized using high-resolution photoemission spectroscopy (HRPES) and their corresponding DFT calculation results. Interestingly, after 0.10 ML p-TBCA molecules had been adsorbed onto a Ge(100) surface, subsequent adsorption of a small amount of metallic Mg (~0.10 ML) resulted in the formation of a capped structure inside the pre-adsorbed p-TBCA molecules. The adsorption structures resulting from further deposition of Mg (~0.50 ML) onto the Ge(100) surface were monitored based on the surface charge state and Mg 2s core level spectrum. Work function measurements clearly indicated the electronic structures of the Mg and p-TBCA adsorbed onto the Ge(100) surface. Moreover, we confirmed that three different adsorption structures are experimentally favorable at room temperature through DFT calculation results.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.136-136
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• 2013

High-resolution photoemission spectroscopy (HRPES) measurements were collected and density functional theory (DFT) calculations were conducted to track the coverage dependent variation of the absorption structure of 2-thiophenecarboxaldehyde (C4H3SCHO: TPCA) on the Ge(100) surface at room temperature. In an effort to identify the most probably adsorption structures on the Ge(100) surface, we deposited TPCA molecules at a low coverage and at a high coverage and compared the differences between the electronic features measured using HRPES. The HRPES data provided three possible adsorption structures of TPCA on the Ge(100) surfaces, and DFT calculations were used to determine the plausibility of the structures. HRPES analysis, corroborated by DFT calculations, indicated that an S-dative bonded structure was the most probable adsorption structure at relatively lower coverage levels, the [4+2] cycloaddition structure was the second most probable structure, and the [2+2]-C=O cycloaddition structure was the last probable structure on the Ge(100) surfaces at relatively higher coverage levels.

• Bulletin of the Korean Chemical Society
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• v.11 no.5
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• pp.379-383
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• 1990

$YBa_2Cu_{3-x}Ni_xO_{7-{\delta}}$, with x = 0.05, 0.2, 0.4, 0.7 and 1.0 had been prepared by the thermal decomposition of corresponding nitrates. Among them, the sample with x = 0.05 shows above-liquid-$N_2$ temperature superconductivity with $T_c$ of 88.7K. According to the X-ray diffraction analysis, its crystal symmetry was estimated as orthorhombic with the lattice parameters of a = 3.866${\AA}$, b = 3.893${\AA}$, c = 11.715${\AA}$. The chemical composition of the sample was determined by electron probe microanalysis and the chemical composition around its grain boundaries was carefully studied by the X-ray line scanning technique. From the observed binding energy of Ni-$2p_{3/2}$ orbital electron (B.E. = 853 eV) measured by X-ray photoelectron spectroscopy, the valency state of nickel stabilized in $YBa_2Cu_{2.95}Ni_{0.05}O_{7-{\delta}}$ oxide lattice could be determined to be Ni(II).

• Journal of the Korean Magnetics Society
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• v.5 no.5
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• pp.376-379
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• 1995

Employing the muffin-tin-orbital theory combined with pseudo-potential concepts, we have evaluated hybridization matrix elements between R and T sites in $RT_{2}$ compounds. The matrix elements are calculated with two parameters, the interatomic distance between R and T atoms from the crystal structure data, and the expectation values of the radial distances for the radial wave functions of the ground state charge densities, which are obtained from the linearized muffin-tin orbital band method within the local density approximation. It is found that the R 4f/T 3d hybridization matrix elements decrease with an increasing atomic number from R=Ce to Gd, and that they are smaller in $RNi_{2}$ than in $RCo_{2}$, which are consistent with trends observed in recent photoemission spectroscopy experiments. It is also found that the magnitudes of the hybridization matrix elements in $RFe_{2}$ are comparable to those in $RNi_{2}$.

• Progress in Superconductivity
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• v.11 no.2
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• pp.83-86
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• 2010

There are theoretical and experimental evidences for the pseudo-gap in electron doped cuprates being due to interaction between electrons and anti-ferromagnetism(AFM). A remaining issue is on how AFM correlates with pseudo-gap, and eventually with superconductivity. To elucidate the issue, we have performed temperature dependent angle-resolved photoemission studies of an e-doped cuprate superconductor $Sm_{2-x}Ce_xCuO_4$(SCCO) x=0.18 at 20K and 150K. In the case of $Nd_{2-x}Ce_xCuO_4$, the most well known e-doped cuprate, pseudo-gap disappears at around 100 K for x=0.17. Our experimental result reveals that the pseudo-gap of SCCO exists even at 150K for x=0.18. This result implies that the AFM of SCCO survives even in x=0.18, which agrees with previously reported phase diagram of SCCO. Yet, the superconductivity disappears around x=0.18 for both NCCO and SCCO in spite of the difference in the magnetic order. This result sheds a light on the disappearance of superconductivity on the over-doped side.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.114.1-114.1
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• 2014

Copper is considered to be the most promising substrate for the growth of high-quality and large area graphene by chemical vapor deposition (CVD), in particular, on the (111) facet. Because the interactions between graphene and Cu substrates influence the orientation, quality, and properties of the synthesized graphene, we studied the interactions using angle-resolved photoemission spectroscopy. The evolution of both the Shockley surface state of the Cu(111) and the p band of the graphene was measured from the initial stage of CVD growth to the formation of a monolayer. Graphene growth was initiated along the Cu(111) lattice, where the Dirac band crossed the Fermi energy ($E_F$) at the K point without hybridization with the d-band of Cu. Then two rotated domains were additionally grown as the area covered with graphene became wider. The Dirac energy was about 0.4 eV and the energy of the Shockley surface state of Cu(111) shifted toward the $E_F$) by 0.15 eV upon graphene formation. These results indicate weak interactions between graphene and Cu, and that the electron transfer is limited to that between the Shockley surface state of Cu(111) and the p band of graphene. This weak interaction and slight lattice mismatch between graphene and Cu resulted in the growth of rotated graphene domains ($9.6^{\circ}$ and $8.4^{\circ}$), which showed no significant differences in the Dirac band with respect to different orientations. These rotated graphene domains resulted in grain boundaries which would hinder a large-sized single monolayer growth on Cu substrates.