• Proceedings of the Korean Vacuum Society Conference
• /
• 2013.08a
• /
• pp.149.1-149.1
• /
• 2013

Noble metal silicides are widely used in silicon based microelectronic and optoelectronic devices. Among them, as compared to other silicides, structural and electronic properties of platinum silicide (PtSi) are found to be less sensitive to change in its dimensions. PtSi is known to overcome the junction spiking problems of Al-Si contacts. Present study is regarding the spatial evolution of platinum silicide in Pt/SiOx/Si. Scanning photoelectron emission microscopy (SPEM) was used for this purpose. SPEM images were obtained for pristine samples and after an annealing at $500^{\circ}C$ for 1 hr. Core-level spectra were recorded at different points in SPEM images contrasted by the intensity of Pt 4f7/2. Both Pt 4f and Si 2p spectra reveal the formation of PtSi after annealing. However, in contrast to earlier reports, PtSi formation is found to be non-uniform confirmed by the SPEM images and from the core level spectra taken at different intensity points.

• Journal of the Korean Vacuum Society
• /
• v.15 no.1
• /
• pp.31-36
• /
• 2006

By analyzing the Ge 34 core-level photoelectron spectrum, we studied the structure of the $Li/Ge(111)-3\times1$ surface. Two surface related components tying on either side of the main bulk peak were identified in the Ge 3d spectrum. The existence and the position of the two surface components in the core-level spectrum from $Li/Ge(111)-3\times1$ is similar to those of the $Li/Ge(111)-3\times1$, suggesting the similarities in structure of the two surfaces. The core-level photoelectron spectra of the Li-induced $Li/Ge(111)-3\times1$ surface are well consistent with the honeycomb-chain-channel model, which was proposed as the structure of the $Si/Ge(111)-3\times1$ induced by alkali metals.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2012.08a
• /
• pp.212-212
• /
• 2012

The Coverage dependent attachment of multifunctional groups included in threonine molecules adsorbed to Ge (100)$-2{\times}1$ surface was investigated using core-level photoemission spectroscopy (CLPES) and density functional theory (DFT) calculations. The core-level spectra at a low coverage indicated that the both carboxyl and amine groups participated in the bonding with the Ge (100) surface by "O-H dissociated and N-dative bonded structure". However, at high coverage level, additional adsorption geometry of "O-H dissociation bonded structure" appeared possibly to minimize the steric hindrance between adsorbed molecules. Moreover, the C 1s, N 1s, and O 1s core level spectra confirmed that the carboxyl oxygen is more competitive against the hydroxymethyl oxygen in the adsorption reaction. The adsorption energies calculated using DFT methods suggested that four of six adsorption structures were plausible. These structures were the "O-H dissociated-N dative bonded structure", the "O-H dissociation bonded structure", the "Om-H dissociated-N dative bonded structure", and the "Om-H dissociation bonded structure" (where Om indicates the hydroxymethyl oxygen). These structures are equally likely, according to the adsorption energies alone. Conclusively, we investigate in threonine on Ge (100) surface system that the "O-H dissociated-N dative bonded structure" and the "O-H dissociation bonded structure" are preferred at low coverage and high coverage.

• Korean Journal of Mineralogy and Petrology
• /
• v.34 no.2
• /
• pp.121-131
• /
• 2021

Magnesium (Mg) present in carbonate minerals as impurities has been used as a geochemical proxy to infer the environmental conditions where the minerals precipitated. The reliability of Mg geochemical proxies requires fundamental understanding of Mg incorporation into minerals based on accurate speciation of Mg ²⁺ in the crystal structure, which is determined mainly by application of X-ray absorption spectroscopy (XAS). However, high uncertainties are involved in interpreting the XAS spectra of minerals containing trace amount of Mg ²⁺. Because density function theory (DFT) can predict an XAS spectrum for a crystal structure, DFT calculations can reduce the uncertainties in the interpretation of the XAS spectrum. In this study, we calculated ab initio Mg K-edge absorption spectra of Mg silicates and (hydr)oxides based on DFT and analyzed the correlation between the calculated spectra and Mg structural parameters. Our ab initio Mg K-edge absorption spectra well reproduced the key features of the experimental spectra. The absorption-edge positions of the calculated spectra showed the weak positive correlation with the average Mg-O bond distance or Mg effective coordination number. The current study shows that DFT-based core-level spectroscopy method is a powerful tool in providing standard Mg K-edge spectra of diverse Mg minerals and determining the Mg chemical species within carbonate minerals.

• Bulletin of the Korean Chemical Society
• /
• v.31 no.11
• /
• pp.3217-3220
• /
• 2010

The electronic structures and bonding configuration of histidine on Ge(100) have been investigated with various sample treatments using core-level photoemission spectroscopy (CLPES). Interpretation of the Ge 3d, C 1s, N 1s, and O 1s core level spectra being included in these systems revealed that both the imino nitrogen in the imidazole ring and the carboxyl group in the glycine moiety concurrently participate in the adsorption of histidine on a Ge(100) surface at 380 K. Moreover, we could clearly confirm that the imino nitrogen with a free lone pair in the imidazole group adsorbs on Ge(100) more strongly than the carboxyl group in the glycine moiety by examining systems annealed at various temperatures.

• Journal of the Korean Vacuum Society
• /
• v.6 no.4
• /
• pp.314-320
• /
• 1997

A chemical reaction and electronic structure change at the interface between copper and titanium nitride were investigated by XPS. A thin Cu layer was deposited on a TiN substrate oxidized by exposure to air at room temperature. We observed the Ti(2p), O(1s), N(1s), Cu(2p) core-level, and Cu LMM Auger line spectra. With increasing of the thickness of Cu layer, these spectra do not show any changes in the line shape as well as in peak position. In addition, the valence band spectra in XPS do not show any changes, which indicates that Cu does not react with Ti, N, and O. This inreactivity of Cu might cause a poor adhesion between Cu and TiN.

• Journal of the Korean Vacuum Society
• /
• v.8 no.3B
• /
• pp.269-275
• /
• 1999

The phase transition on the surface which several adsorbates (K, Mg, etc.) are deposited was observed by Low Energy Electron Diffraction (LEED) and Reflection High Energy Electron Diffraction (RGEED). We took the photoelectron spectra from the valence and core level at several oxygen exposure. For oxygen adsorption, the surface state in valence spectra diminished concurrently with S1, S2 peaks in core level spectra and surface periodicity turned to 3$\times$2 by post-annealing. These results suggest that the phase transition from 3$\times$2 to 3$\times$ on the Si(113) at initial stage is induced by a rearrangement of atoms on the substrate, not by the formation of overlayer.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.08a
• /
• pp.215-215
• /
• 2011

The bonding configuration and adsorption stability of alanine and leucine adsorbed on Ge(100)-2${\times}$1 surface were investigated and compared using core-level photoemission spectroscopy (CLPES) and density functional theory (DFT) calculations. The bonding configuration, stability, and adsorption energies were evaluated for two different coverage levels. In both cases, the C 1s, N 1s, and O 1s core-level spectra at a low coverage (0.30 ML) indicated that the carboxyl and amine groups participated in bonding with the Ge(100) surface in an "O-H dissociated-N dative bonded structure". At high coverage levels (0.60 ML), both this structure and an "O-H dissociation bonded structure" were present. As a result, we found that alanine adsorbs more easily (lower adsorption energy) than leucine on Ge(100) surfaces due to less steric hindrance of side chain.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.6
• /
• pp.1115-1120
• /
• 2008

The adsorption of CO on W(110) surfaces was studied using thermal desorption spectroscopy (TDS), and core and valence level spectroscopy. At 120 K, CO forms a tilted structure at lower coverages ($\alpha$ 1), whereas it adsorbs normal to the surface at higher coverages ($\alpha$ 2). Tilted structures have been suggested to be precursors of dissociative chemisorption; however, experimental evidence is provided for the non-dissociative chemisorption of CO at temperatures above 900 K (which is referred to as the $\beta$ -state): TDS shows first order desorption kinetics. The core and valence level spectra of O/W(110) and those of $\beta$ -CO/W(110) are different. Most importantly, the 4$\sigma$ molecular orbital of CO can be identified in the valence level spectra of the $\beta$ -CO.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2010.02a
• /
• pp.374-374
• /
• 2010

Charge transfer mechanism of poly(4,4'-aminotriphenylene hexafluoroisopropylidenediphthalimide) (TP6F PI) which exhibits bistable ON and OFF switching has been studied using photoemission electron spectroscopy (PES) and near-edge x-ray absorption fine structure (NEXAFS). Here, we demonstrate novel set-up in which holes are injected by photoemission process instead of direct charge carrier injection via metal electrode. The accumulated charges on the PI surface in the OFF state abruptly flow across the PI film when the bias voltage of a back electrode reaches a specific value, indicating that the film is changed to the ON state. Core level and x-ray absorption spectra probed at charge injection region via photoemission process do not show any evidences implying structural modification of TP6F PI during the phase change. Whereas, in valence band spectra, the highest occupied molecular orbital (HOMO) is shifted toward Fermi level, responsible for improved hole-mobility of TP6F PI of ON state.