• Coupled systems mechanics
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• v.5 no.4
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• pp.305-314
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• 2016

We utilize first-principles calculations within density-functional theory to investigate the possibility of strain engineering in the tuning of the band structure of two-dimensional $MoS_2$. We find that the band structure of $MoS_2$ monolayers transits from direct to indirect when mechanical strain is applied. In addition, we discuss the change in the band gap energy and the critical stains for the direct-to-indirect transition under various strains such as uniaxial, biaxial, and pure shear. Biaxial strain causes a larger change, and the pure shear stain causes a small change in the electronic band structure of the $MoS_2$ monolayer. We observe that the change in the interaction between molecular orbitals due to the mechanical strain alters the band gap type and energy.

• Transactions on Electrical and Electronic Materials
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• v.6 no.5
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• pp.229-232
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• 2005

Direct characterization of band alignment at chemical bath deposition $(CBD)-CdS/Cu_{0.93}(In_{1-x}Ga_x)Se_2$ has been carried out by photoemission spectroscopy (PES) and inverse photoemission spectroscopy (IPES). Ar ion beam etching at the condition of the low ion kinetic energy of 400 eV yields a removal of surface contamination as well as successful development of intrinsic feature of each layer and the interfaces. Especially interior regions of the wide gap CIGS layers with a band gap of $1.4\~1.6\;eV$ were successfully exposed. IPES spectra revealed that conduction band offset (CBO) at the interface region over the wide gap CIGS of x = 0.60 and 0.75 was negative, where the conduction band minimum of CdS was lower than that of CIGS. It was also observed that an energy spacing between conduction band minimum (CBM) of CdS layer and valance band maximum (VBM) of $Cu_{0.93}(In_{0.25}Ga_{0.75})Se_2$ layer at interface region was no wider than that of the interface over the $Cu_{0.93}(In_{0.60}Ga_{0.40})Se_2$ layer.

• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.324-329
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• 2015

First-principles investigations on the hybrid one dementional hexagonal hybrboron-nitride nano ribbons (BNNRs) with a armchair graphene nano-ribbons(AGRNRs), are presented. Electronics properties of the mixed armchair BNC nano-ribbon (BNCNRs) structure show control of a band gap on all cases at the special K-point. And we have studied, the band gap is direct in all cases. The band gap of mixed ABNCNRs could be divided into three groups (${\Delta}3p$, ${\Delta}3p+1$ and ${\Delta}3p+2$) and decrease with the increase of the width. Also these results show similar to the AGNRs case. Different from the band gap value ordering of AGNRs (${\Delta}3p+1$ > ${\Delta}3p$ > ${\Delta}3p+2$), the ordering of ABNCNRs is ${\Delta}3p$ > ${\Delta}3p+1$ > ${\Delta}3p+2$. The discrepancy may come from the differences between the edges of AGRNRs and the boundaries of hybrid BNCNRs. In addition, the bandgap of ABNCNRs are much smaller than those of the corresponding AGNRs. Our results show that the origin of band gap for BNCNRs with armchair shaped edges arises from both quantum confinement effect of the edges. These results similar to thecase of AGNRs. These properties of hybrid BN/C nano-ribbon structure may offer suitable bandgap to develop nnanoscale electronics and solar cell beyond individual GNRs and BNNRs.

• Journal of the Korean Ceramic Society
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• v.40 no.3
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• pp.213-218
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• 2003

Band gap energies of SrTiO$_3$(STO) thin film on glass substrates were studied in terms of annealing temperature. The STO thin film was fabricated by our newly developed method based on the combination of the Self-Assembled Monolayer(SAM) technique and the Liquid Phase Deposition(LPD) method. The as-deposited film demonstrated a direct band gap energy of about 3.65 eV, which further increased to 3.73 eV and 3.78 eV by annealing at 40$0^{\circ}C$ and 50$0^{\circ}C$, respectively. The band gap energy saturated at about 3.70 eV for the crystallized film which was obtained by annealing at 600-$700^{\circ}C$. The relatively large band gap energies of our crystallized films were due to the presence of minor amorphous phase, grain boundaries and oxygen vacancies generated by annealing in air.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.125.1-125.1
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• 2016

The excitonic insulator (EI), which is one of fundamental insulators, was theoretically proposed in 1967 but its material realization has not been established well. Only a few materials were proposed as EIs but their experimental evidences were indirect such as the renormalization of band dispersions or an anomaly in electrical resistivity. We conducted scanning tunneling microscopy / spectroscopy measurements and found out that $Ta_2$ $NiSe_5$, which was the most recently proposed as an EI, had a metal-insulator phase transition with the energy gap of 700 meV at 78 K. Moreover, the spatially delocalized excitonic energy level was observed within the energy gap, which could be the direct evidence of the EI ground state. Our theoretical model calculation with the order parameter of 150 meV reproduces the spectral function and the excitonic energy gap very well. In addition, experimental data shows that the band character is inverted at the valence and conduction band edges by the exciton formation, indicating that the mechanism of exciton condensation is similar to the Bardeen-Cooper-Schrieffer (BCS) mechanism of cooper pairs in superconductors.

• Electronic Materials Letters
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• v.14 no.6
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• pp.774-783
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• 2018

Full maximum-entropy mobility-spectrum analysis (FMEMSA) is the best algorithm among mobility spectrum analyses by which we can obtain a set of partial-conductivities associated with mobility values (mobility spectrum) by analyzing magnetic-field-dependent conductivity-tensors. However, it is restricted to a direct band-gap semiconductor and should be modified for materials with other band structures. We developed the modified version of FMEMSA which is appropriate for a material with a single anisotropic valley, or an indirect-band-gap semiconductor quantum-well with a single non-degenerate conduction-band valley e.g., (110)-oriented AlAs quantum wells with a single anisotropic valley. To demonstrate the reliability of the modified version, we applied it to several sets of synthetic measurement datasets. The results demonstrated that, unlike existing FMEMSA, the modified version could produce accurate mobility spectra of materials with a single anisotropic valley.

• Proceedings of the KIEE Conference
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• 2000.07e
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• pp.56-59
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• 2000

$CdGaInS_4$ and $CdGaInS_4:Er^{3+}$ single crystals crystallized in the rhombohedral(hexagonal) structure. with lattice constants $a=3.913{\AA},\;c=37.245{\AA}$ for $CdGaInS_4$, and $a=3.899{\AA}$ and $c=36.970{\AA}$ for $CdGaInS_4:Er^{3+}$. The optical absorption measured near the fundamental band edge showed that the optical energy band structure of these compounds had a direct and indirect band gap. the direct and indirect energy gaps are found to be 2.771 and 2.503 eV for $CdGaInS_4$, and 2.665 and 2.479 eV for $CdGaInS_4:Er^{3+}$ at 10 K. The temperature dependence of the optical energy gap was well represented by the Varshni equation. In $CdGaInS_4$, the values of ${\alpha},\;{\beta}$ of the direct and the indirect energy gap were found to be $7.57{\times}10^{-4}eV/K$. $6.53{\times}10^{-4}eV/K$ and 240K. 197K. and the values of ${\alpha}$ and ${\beta}$ of the direct and the indirect energy gap in the $CdGaInS_4:Er^{3+}$ were given by $8.28{\times}10^{-4}eV/K,\;2.08{\times}10^{-4}eV/K$ and 425 K, 283 K, respectively.

• Transactions on Electrical and Electronic Materials
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• v.16 no.1
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• pp.5-9
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• 2015

Optical and electrical properties were studied for Antimony doped tin oxide thin films from precursors containing 10, 30, 50, and 70 atom% of Sb deposited on bare sodalime silica, barrier layer coated sodalime silica, and pure silica glass substrates by sol-gel spinning technique. The direct band gaps were found to vary from 3.13~4.12 eV when measured in the hv range of 2.5~5.0 eV, and varied from 4.22~5.08 eV when measured in the range of 4.0~7.0 eV. Indirect band gap values were in the range of 2.35~3.11 eV. Blue shift of band gap with respect to bulk band gap and Moss-Burstein shift were observed. Physical thickness of the films decreased with the increase in % Sb. Resistivity of the films deposited on SLS substrate was in the order of $10^{-2}$ ohm cm. Sheet resistance of the films deposited on barrier layer coated soda lime silica glass substrate was found to be relatively less.

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.214-216
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• 2013

The atomic and electronic properties of molybdenum disurfide ($MoS_2$) nanostructures are investigated through density functional theory (DFT) calculations. We find that the band gap is indirect (about 1.79 eV) and direct (about 1.84 eV) in GGA for 2-dimensional $MoS_2$ in our calculations. On the other hand, 1-dimensional armchair nanoribbons have semiconductor properties (band gap is about 0.11~0.28 eV), while 1-dimensional zigzag nanoribbons are metallic.

• The Transactions of the Korean Institute of Electrical Engineers P
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• v.51 no.3
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• pp.137-141
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• 2002

CdS and $CdS:Co^{2+}$ single crystals were grown by CTR method using iodine as transport material. The grown single crystals have defect chalcopyrite structure with direct band gap. The optical energy band gap was decreased according to add of Co-impurity. We can observed the Co-impurity optical absorption peaks assigned to the $Co^{2+}$ ion sited at the $T_d$ symmetry lattice and we consider that they were attributed to the electron transitions between energy levels of ions.