• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2004.11a
• /
• pp.226-229
• /
• 2004

A stoichiometric mixture of evaporating materials for $CuAlSe_2$ single crystal thin films was prepared from horizontal electric furnace. To obtain the single crystal thin films, $CuAlSe_2$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the hot wall epitaxy (HWE) system. The source and substrate temperatures were $680^{\circ}C$ and $410^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $CuAlSe_2$ single crystal thin films measured with Hall effect by van der Pauw method are $9.24{\times}10^{16}\;cm^{-3}$ and $295\;cm^2/V{\cdot}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the $CuAlSe_2$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)\;=\;2.8382\;eV\;-\;(8.68{\times}10^{-4}\;eV/K)T^2/(T+155K)$. The crystal field and the spin-orbit splitting energies for the valence band of the $CuAlSe_2$ have been estimated to be 0.2026 eV and 0.2165 eV at 10K, respectively, by means of the photocurrent spectra and the Hopfield quasicubic model. These results indicate that the splitting of the ${\Delta}so$ definitely exists in the ${\Gamma}_5$ states of the valence band of the $CuAlSe_2$. The three photocurrent peaks observed at 10K are ascribed to the $A_1-$, $B_1-$, and $C_1$-exciton peaks for n = 1.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2003.07a
• /
• pp.282-285
• /
• 2003

Single crystal $CuAlSe_2$ layers were grown on thoroughly etched semi-insulating GaAs(100) substrate at $410\;^{\circ}C$ with hot wall epitaxy (HWE) system by evaporating $CuAlSe_2$ source at $680\;^{\circ}C$. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of single crystal $CuAlSe_2$ thin films measured with Hall effect by van der Pauw method are $9.24{\times}10^{16}\;cm^{-3}\;and\;295\;cm^2/V{\cdot}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the $CuAlSe_2$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)\;=\;2.8382\;eV\;-\;(8.68\;{\times}\;10^{-4}eV/K)T^2/(T\;+\;155\;K)$. The crystal field and the spin-orbit splitting energies for the valence band of the $CuAlSe_2$ have been estimated to be 0.2026 eV and 0.2165 eV at 10 K, respectively, by means of the photocurrent spectra and the Hopfield quasicubic model. These results indicate that the splitting of the $\Delta$so definitely exists in the ${\Gamma}_5$ states of the valence band of the $CuAlSe_2$. The three photocurrent peaks observed at 10 K are ascribed to the $A_1-$, $B_1-$, and $C_1$-exciton peaks for n = 1.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2005.11a
• /
• pp.74-75
• /
• 2005

ZnO epilayer were synthesized by the pulesd laser deposition(PLD) process on $Al_2O_3$ substrate after irradiating the surface of the ZnO sintered pellet by the ArF(193 nm) excimer laser. The epilayers of ZnO were achieved on sapphire ($Al_2O_3$) substrate at a temperature of $400^{\circ}C$. The crystalline structure of epilayer was investigated by the photoluminescence. The carrier density and mobility of ZnO epilayer measured with Hall effect by van der Pauw method are $8.27{\times}10^{16}cm^{-3}$ and $299cm^2/V{\cdot}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the ZnO obtained from the absorption spectra was well described by the Varshni's relation, $E_g$(T) = 3.3973 eV - ($2.69{\times}10^{-4}$ eV/K)$T_2$/(T + 463 K). The crystal field and the spin-orbit splitting energies for the valence band of the ZnO have been estimated to be 0.0041 eV and 0.0399 eV at 10 K, respectively, by means of the photocurrent spectra and the Hopfield quasicubic model. These results indicate that the splitting of the $\triangle$so definitely exists in the $\ulcorner_6$ states of the valence band of the ZnO. The three photocurrent peaks observed at 10K are ascribed to the $A_1-$, $B_1-$, and $C_1$-exciton peaks for n = 1.

• Journal of Sensor Science and Technology
• /
• v.13 no.2
• /
• pp.157-167
• /
• 2004

A stoichiometric mixture of evaporating materials for $CuAlSe_{2}$ single crystal thin films was prepared from horizontal electric furnace. To obtain the single crystal thin films, $CuAlSe_{2}$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the hot wall epitaxy (HWE) system. The source and substrate temperatures were $680^{\circ}C$ and $410^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $CuAlSe_{2}$ single crystal thin films measured with Hall effect by van der Pauw method are $9.24{\times}10^{16}cm^{-3}$ and $295cm^{2}/V{\codt}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the $CuAlSe_{2}$ obtained from the absorption spectra was well described by the Varshni's relation, $E_{g}(T)$ = 2.8382 eV - ($8.68{\circ}10^{-4}$ eV/K)$T^{2}$/(T + 155 K). The crystal field and the spin-orbit splitting energies for the valence band of the $CuAlSe_{2}$ have been estimated to be 0.2026 eV and 0.2165 eV at 10 K, respectively, by means of the photocurrent spectra and the Hopfield quasicubic model. These results indicate that the splitting of the ${\Delta}so$ definitely exists in the ${\Gamma}_{5}$ states of the valence band of the $CuAlSe_{2}$. The three photocurrent peaks observed at 10 K are ascribed to the $A_{1-}$, $B_{1-}$, and $C_{1-}$ exciton peaks for n = 1.

• Applied Science and Convergence Technology
• /
• v.23 no.5
• /
• pp.201-210
• /
• 2014

The influence of electron irradiation and hydrogen adsorption on the electronic structure of the $SrTiO_3$ (001) surface was investigated by ultraviolet photoemission spectroscopy (UPS). Upon electron irradiation of the surface, UPS revealed an electronic state within the band gap (in-gap state: IGS) with the surface kept at $1{\times}1$. This is considered to originate from oxygen vacancies at the topmost surface formed by electron-stimulated desorption of oxygen. Electron irradiation also caused a downward shift of the valence band maximum indicating downward band-bending and formation of a conductive layer on the surface. With oxygen dosage on the electron-irradiated surface, on the other hand, the IGS intensity was decreased along with upward band-bending, which points to disappearance of the conductive layer. The results indicate that electron irradiation and oxygen dosage allow us to control the surface electronic structure between semiconducting (nearly-vacancy free: NVF) and metallic (oxygen de cient: OD) regimes by changing the density of the oxygen vacancy. When the NVF surface was exposed to atomic hydrogen, in-gap states were induced along with downward band bending. The hydrogen saturation coverage was evaluated to be $3.1{\pm}0.8{\times}10^{14}cm^{-2}$ with nuclear reaction analysis. From the IGS intensity and H coverage, we argue that H is positively charged as $H^{{\sim}0:3+}$ on the NVF surface. On the OD surface, on the other hand, the IGS intensity due to oxygen vacancies was found to decrease to half the initial value with molecular hydrogen dosage. H is expected to be negatively charged as $H^-$ on the OD surface by occupying the oxygen vacancy site.

• Journal of the Korean Ceramic Society
• /
• v.55 no.3
• /
• pp.267-274
• /
• 2018

$TiO_2/CuS$ nanocomposites were fabricated by precipitation of nanosized CuS via sonochemical method on electrospun $TiO_2$ nanofibers, and their structure, chemical bonding states, optical properties, and photocatalytic activity were investigated. In the $TiO_2/CuS$ nanocomposite, the position of the conduction band for CuS was at a more negative than that of TiO; meanwhile, the position of the valence band for CuS was more positive than those for TiO, indicating a heterojunction structure belonging to type-II band alignment. Photocatalytic activity, measured by decomposition of methylene blue under visible-light irradiation (${\lambda}$ > 400 nm) for the $TiO_2/CuS$ nanocomposite, showed a value of 85.94% at 653 nm, which represented an improvement of 52% compared to that for single $TiO_2$ nanofiber (44.97% at 653 nm). Consequently, the photocatalyst with $TiO_2/CuS$ nanocomposite had excellent photocatalytic activity for methylene blue under visible-light irradiation, which could be explained by the formation of a heterojunction structure and improvement of the surface reaction by increase in surface area.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2006.11a
• /
• pp.85-86
• /
• 2006

Single crystal $AgGaSe_2$ layers were grown on thoroughly etched semi-insulating GaAs(100) substrate at $420^{\circ}C$ with hot wall epitaxy (HWE) system by evaporating $AgGaSe_2$ source at $630^{\circ}C$. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The temperature dependence of the energy band gap of the $AgGaSe_2$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)=19501 eV-(879{\times}10^{-4} eV/K)T^2/(T+250 K)$.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2016.02a
• /
• pp.128.1-128.1
• /
• 2016

Nitrided-metal gates on the high-${\kappa}$ dielectric material are widely studied because of their use for sub-20nm semiconductor devices and the academic interest for the evanescent states at the Si/insulator interface. Issues in these systems with the Si substrate are the electron mobility degradation and the reliability problems caused from N defects that permeates between the Si and the $SiO_2$ buffer layer interface from the nitrided-gate during the gate deposition process. Previous studies proposed the N defect structures with the gap states at the Si band gap region. However, recent experimental data shows the possibility of the most stable structure without any N defect state between the bulk Si valence band maximum (VBM) and conduction band minimum (CBM). In this talk, we present a new type of the N defect structure and the electronic structure of the proposed structure by using the first-principles calculation. We find that the pair structure of N atoms at the $Si/SiO_2$ interface has the lowest energy among the structures considered. In the electronic structure, the N pair changes the eigenvalue of the silicon-induced gap state (SIGS) that is spatially localized at the interface and energetically located just above the bulk VBM. With increase of the number of N defects, the SIGS gradually disappears in the bulk Si gap region, as a result, the system gap is increased by the N defect. We find that the SIGS shift with the N defect mainly originates from the change of the kinetic energy part of the eigenstate by the reduction of the SIGS modulation for the incorporated N defect.

• Bulletin of the Korean Chemical Society
• /
• v.17 no.12
• /
• pp.1127-1131
• /
• 1996

[FeⅡ2(N-Et-HPTB)Cl2]BPh4(1), where N-Et-HPTB is the anion of N,N,N',N'-tetrakis(N-ethyl-2-benzimidazolylmethyl)-2-hydroxy-l,3-diaminopropane, has been synthesized to model dioxygen binding to the diferrous centers of proteins. 1 has a singly bridged structure with a μ-alkoxo of N-Et-HPTB and contains two five-coordinate iron(Ⅱ) centers with two chloride ligands as exogenous ligands. 1 exhibits an electronic spectrum with a λmax at 336 nm in acetone. 1 in acetone exhibits no EPR signal at 4 K, indicating diiron(Ⅱ) centers are antiferromagnetically coupled. Exposure of acetone solution of 1 to O2 at -90 ℃ affords an intense blue color intermediate showing a broad band at 586 nm. This absorption maximum of the dioxygen adduct(1/O2) was found in the same region of μ-l,2-peroxo diiron(Ⅲ) intermediates in the related complexes with pendant pyridine or benzimidazole ligand systems. However, this blue intermediate exhibits EPR signals at g = 1.93, 1.76, and 1.59 at 4 K. These g values are characteristic of S = 1/2 system derived from an antiferromagnetically coupled high-spin Fe(Ⅱ)Fe(Ⅲ) units. 1 is the unique example of a (μ-alkoxo)diferrous complex which can bind dioxygen and form a metastable mixed-valence intermediate. At ambient temperature, most of 1/O2 intermediate decays to form a diamagnetic species. It suggests that the dacay reaction of the intermediate might be bimolecular, implying the formation of mixed-valence tetranuclear species in transition state.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2016.02a
• /
• pp.246-246
• /
• 2016

Tungsten-nitrogen (W-N) co-doping has been known to enhance the photocatalytic activity of anatase titania nanoparticles by utilizing visible light. The doping effects are, however, largely dependent on calcination or annealing conditions, and thus, the massive production of quality-controlled photocatalysts still remains a challenge. Using density functional theory (DFT) thermodynamics and time-dependent DFT (TDDFT) computations, we investigate the atomic structures of N doping and W-N co-doping in anatase titania, as well as the effect of the thermal processing conditions. We find that W and N dopants predominantly constitute two complex structures: an N interstitial site near a Ti vacancy in the triple charge state and the simultaneous substitutions of Ti by W and the nearest O by N. The latter case induces highly localized shallow in-gap levels near the conduction band minimum (CBM) and the valence band maximum (VBM), whereas the defect complex yielded deep levels (1.9 eV above the VBM). Electronic structures suggest that substitutions of Ti by W and the nearest O by N improves the photocatalytic activity of anatase by band gap narrowing, while defective structure degrades the activity by an in-gap state-assisted electron-hole recombination, which explains the experimentally observed deep level-related photon absorption. Through the real-time propagation of TDDFT (rtp-TDDFT), we demonstrate that the presence of defective structure attracts excited electrons from the conduction band to a localized in-gap state within a much shorter time than the flat band lifetime of titania. Based on these results, we suggest that calcination under N-rich and O-poor conditions is desirable to eliminate the deep-level states to improve photocatalysis.