• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.132.2-132.2
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• 2013

Electrons in graphene make ballistic transport with very high mobility (${\sim}2{\times}105 $cm2V-1s-1), which holds promises for applications in fast electronic devices. However, such expectations have been hampered by the semi-metallicity or zero bandgap of graphene, which makes it impossible to completely turn off graphene transistor devices. Here, we report the observations of local bandgap modulations in Moir$\acute{e}$ patterned graphene on metal substrates using scanning tunneling microscopy and spectroscopy. The Moir$\acute{e}$ patterned graphene was made by combinations of self-assembly processes, and they showed additional electronic states that could be interpreted as sub-band states. Our experimental observations could be explained with orbital transitions of carbon atoms from sp2 to sp3, as supported by our density functional theory calculation results. Our findings will add new poweful components for device applications.

• Journal of the Korean Magnetics Society
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• v.18 no.3
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• pp.85-88
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• 2008

We calculated the electronic structures of substituted cobalt nitrides, that is $FeCo_3N$ and $NiCo_3Ni$, by using the all electron fullpotential linearized augmented plane-wave (FLAPW) energy band method, and investigated the influence on the magnetic properties of $Co_4N$ due to the substitution of Co atom located at corner sites by iron and nickel atoms. We found that the magnetic moments of CoII atoms located at the face-center positions in these compounds are almost same to that of $Co_4N$. The magnetic moments of Fe and Ni atoms in $FeCo_3N$ and $NiCo_3Ni$ are 3.086 and $0.795\;{\mu}_B$, and they have the localized nature of magnetism.

• Bulletin of the Korean Chemical Society
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• v.12 no.6
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• pp.606-612
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• 1991

We have carried out an extended Huckel calculation to rationalize the role of $CuO_3$ chains and the size effect of the charged model clusters for the following charged model culsters : ${{Cu_6}{O_{21}}^{28-},\;{{Cu_6}{O_{22}}^{30-}\;,{{Cu_9}{O_{30}}^{39-}\;,{{Cu_9}{O_{32}}^{43-}\;,{{Cu_{12}{O_{38}}^{48-}\;,{{Cu_{15}{O_{50}}^{65-}\;,{{Cu_{18}{O_{54}}^{66-}\;,{{Cu_{18}{O_{55}}^{68-}\;,{{Cu_{24}{O_{70}}^{84-}\;and\;{{Cu_{27}{O_{78}}^{93-}$ for high-$T_c$ superconductor $YBa_2Cu_3O_7$: ${{Cu_6}{O_{18}}^{22-}\;,{{Cu_9}{O_{26}}^{31-}}\;,{{Cu_{12}{O_{32}}^{36-}\;,{{Cu_{15}{O_{42}}^{49-}\;,{{Cu_{18}{O_{46}}^{50-}\;,{{Cu_{24}{O_{60}}^{64-}\;and\;{{Cu_{27}{O_{66}}^{69-}$ for insulator $YBa_2Cu_3O_6$. The results show that the electronic structures and properties of the charged model clusters relating to high-$T_c$ superconductor are very sensitive to the size change of the clusters with various environmental effects, wherease those of the charged model clusters for insulator $YBa_2Cu_3O_6$ are monotonous to the size change. The $CuO_3$ chains along the b-direction may yield cooperative electronic coupling with the $CuO_2$ layers in determining both conducting and superconducting properties of $YBa_2Cu_3O_{7-x}$ system.

• ETRI Journal
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• v.21 no.4
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• pp.65-82
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• 1999

We present a calculation model for an improved quantitative theoretical analysis of electronic and optical properties of strained-piezoelectric[111] InGaAs/GaAs superlattices (SLs). The model includes a full band-coupling between the four important energy bands: conduction, heavy, light, and spin split-off valence bands. The interactions between these and higher lying bands are treated by the k ${\cdot}$ p perturbation method. The model takes into account the differences in the band and strain parameters of constituent materials of the heterostructures by transforming it into an SL potential in the larger band-gap material region. It self-consistently solves an $8{\times}8$ effective-mass $Schr{\ddot{o}}dinger$ equation and the Hartree and exchange-correlation potential equations through the variational procedure proposed recently by the present first author and applied to calculate optical matrix elements and spontaneous emission rates. The model can be used to further elucidate the recent theoretical results and experimental observations of interesting properties of this type of quantum well and SL structures, including screening of piezoelectric field and its resultant optical nonlinearities for use in optoelectronic devices.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.241-244
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• 2002

Using ab initio method, we have studied the structural stabilities, the electronic structures and properties between the two isomers with $C_{2h}$ and $C_{2v}$ symmetry of AlN four-membered-ring single precursors $[Me_2AlNHR]_2$ (R = Me, $^iPr$, and $^iBu$). In the viewpoint of bond lengths in optimized structures, the N-C bonds are considerably affected by the change of the R groups bonded to nitrogen, but the bonding characters of the Al-N and Al-C bonds are little affected. Also the structural stabilities between the two isomers with $C_{2h}$ and $C_{2v}$ symmetry by using Hartree-Fock (HF) and the second order Moeller-Pleset (MP2) calculations agree well with the experimental results for the relative stability of bis(dimethyl- m-isopropylamido-aluminum) (BDPA) and bis(dimethyl- m-t-butylamido-aluminum) (BDBA), while the semiempirical AM1 and PM3 calculations for BDPA were reverse. Thus, our results may aid in designing an optimum precursor for a given process by explaining the experimental results through the elimination of the R groups bonded to nitrogen.

• Bulletin of the Korean Chemical Society
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• v.21 no.10
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• pp.953-954
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• 2000

The equilibrium geometrical structures of silver atom clusters at their electronic ground states have been theo-retically determined by using the nonrelativistic semiempirical INDO/1 method. The clusters investigated are Agn, Agn+, and Agn- (n = 7 , 8, 9). In order to find the most stable structure, i.e., the global minimum in energy hypersurface, geometry optimization and energy calculation processes have been repeatedly performed for all the possible graphical models by changing the bond parameters (resonance integral values). The heptamers are pentagonal bipyramidal-Ag7(D5h), Ag7+ (D5h), Ag7- (D5h); the octamers are pentagonal bipyramidal with one atom capped-Ag8(D2d), Ag8+ (Cs), Ag8- (D2d); the nonamers are pentagonal bipyramidal with two atoms capped -Ag9(C2v), Ag9+ (C2v), Ag9- (C2v). Our structures are in good agreement with those by ab initio calculations ex-cept for the anionic Ag9- cluster. And it is noted that the INDO/1 method can accurately predict the Ag cluster geometries when a proper set of bond parameters is used.

• The Journal of Korean Institute of Electromagnetic Engineering and Science
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• v.24 no.3
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• pp.316-323
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• 2013

This paper deals with the near-field to far-field calculation for far-field characteristics of antenna and electromagnetic compatibility(EMC) testing. Since the conventional EMC testing process is inefficient such as measurements of the wide band signals and mega structures, Stratton-Chu formula is used to predict the far-field emission by simple and direct process. The usefulness of Stratton-Chu formula is verified by comparing to the analytic solution of the uniform distribution aperture in free-space. In order to inspect the far-fields and to get the near-field values, full-wave simulation solver is utilized. Through the full-wave simulation about the patch antenna, calculated far-field results from Stratton-Chu formula are proven. The predicted magnitudes of the far-field are in error by less than 6 %.

• Journal of the Korean Society for Nondestructive Testing
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• v.32 no.2
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• pp.149-154
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• 2012

The size and distribution of welding residual stress and welding deformation in welding structures have an effect on various sorts of damage like brittle failure, fatigue failure and stress corrosion cracking. So, research for this problem is necessary continuously. In this study, non-destructive technique using laser electronic speckle pattern interferometry, plate of welding specimen according to the external load on the entire behavior of residual stress are presented measurement techniques. Once, welding specimen force tensile loading, using electronic speckle pattern interferometry is measured. welding specimen of base metal and weld zone measure strain from measured result, this using measure elastic modulus. In this study, electronic speckle pattern interferometry use weld zone and base metal parts of the strain differences using were presented in residual stress calculated value, This residual stress value were calculated by numerical calculation. Consequently, weld zone of modulus high approximately 3.7 fold beside base metal and this measured approximately 8.46 MPa.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.25 no.3
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• pp.209-212
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• 2012

In this paper, we have studied on the optimal design of the optical compensation film for the TN-LCDs. To have wide viewing angle panels, several methods such as multi-domain method, optical path method, and phase compensation method have been proposed. Among these methods, this paper focused on the phase compensation method. In the phase compensation method, the phase retardation generated from the optical birefringence for the off-axis incident is compensated by using optical films with refractive anisotropy. To compensate the phase retardation of the TN-LCDs, we have proposed design concept for the biaxial optical films and analyzed the optical performance for the proposed structures. The calculation of the dynamic motion of the liquid crystals was based on the Ericksen-Leslie theory and the optical performance of the TN-LCD was calculated from the Extended Jones Matrix Method. From the results, we have confirmed that the optical characteristics of the TN-LCDs with the biaxial films have been improved considerably compared with the TN-LCDs compensated by the combination of the uniaxial films.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.17 no.1
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• pp.89-93
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• 2004

Piezoelectric fields built in I $n_{x}$G $a_1$$_{-x}$N/GaN (x=0.06∼0.1) quantum wells (QWs) have been estimated by comparing the transition energies, both calculated and measured by photoluminescence (PL). The calculation was numerically carried out with a rectangular QW model, where the effective bandgap considering a bowing facto, energy levels quantized for the lowest lying electrons and heavy holes (1e-lhh), and biaxial compressive strain were included except for the piezoelectric fields. The calculated values were observed to be larger (9∼15 meV) than the measured values by PL, which was considered to be caused by the piezoelectric fields built in InGaN/GaN QW interface. In addition, we observed the energy shift by measuring the EPDPL (excitation power-dependent PL), which was compared with the energy difference caused by the piezoelectric fields.