• Advances in nano research
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• v.10 no.5
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• pp.415-422
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• 2021

Silicene, a 2D allotrope of silicon, is predicted to be a potential material for future transistor that might be compatible with present silicon fabrication technology. Similar to graphene, silicene exhibits the honeycomb lattice structure. Consequently, silicene is a semimetallic material, preventing its application as a field-effect transistor. Therefore, this work proposes the uniform doping bandgap engineering technique to obtain the n-type silicene nanosheet. By applying nearest neighbour tight-binding approach and parabolic band assumption, the analytical modelling equations for band structure, density of states, electrons and holes concentrations, intrinsic electrons velocity, and ideal ballistic current transport characteristics are computed. All simulations are done by using MATLAB. The results show that a bandgap of 0.66 eV has been induced in uniformly doped silicene with phosphorus (PSi₃NW) in the zigzag direction. Moreover, the relationships between intrinsic velocity to different temperatures and carrier concentration are further studied in this paper. The results show that the ballistic carrier velocity of PSi₃NW is independent on temperature within the degenerate regime. In addition, an ideal room temperature subthreshold swing of 60 mV/dec is extracted from ballistic current-voltage transfer characteristics. In conclusion, the PSi₃NW is a potential nanomaterial for future electronics applications, particularly in the digital switching applications.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.31 no.7 s.262
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• pp.792-799
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• 2007

A newly developed cellular metal based on kagome lattice is an ideal candidate for multifunctional materials achieving various optimal properties. Intensive efforts have been devoted to develop efficient techniques for mass production due to its wide potential applications. Since a variety of imperfections would be inevitably included in the realistic fabrication processes, it is highly important to examine the correlation between the imperfections and material strengths. Previous performance tests were mostly done by numerical simulations such as finite element method (FEM), but only for perfect structures without any imperfection. In this paper, we developed an efficient numerical framework using nonlinear random network analysis (RNA) to verify how the statistical imperfections (geometrical and material property) contribute to the performance of general truss structures. The numerical results for kagome truss structures are compared with experimental measurements on 3-layerd WBK (wire-woven bulk kagome). The mechanical strength of the kagome structures is shown relatively stable with the Gaussian types of imperfections.

• Proceedings of the KSME Conference
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• 2007.05a
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• pp.78-83
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• 2007

A newly developed cellular metal based on kagome lattice is an ideal candidate for multifunctional materials achieving various optimal properties. Intensive efforts have been devoted to develop efficient techniques for mass production due to its wide potential applications. Since a variety of imperfections would be inevitably included in the realistic fabrication processes, it is highly important to examine the correlation between the imperfections and material strengths. Previous performance tests were mostly done by numerical simulations such as finite element method (FEM), but only for perfect structures without any imperfection. In this paper, we developed an efficient numerical framework using nonlinear random network analysis (RNA) to verify how the statistical imperfections (geometrical and material property) contribute to the performance of general truss structures. The numerical results for kagome truss structures are compared with experimental measurements on 3-layerd WBK (wire-woven bulk kagome). The mechanical strength of the kagome structures is shown relatively stable with the Gaussian types of imperfections.

• Journal of the Korean Physical Society
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• v.73 no.9
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• pp.1370-1376
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• 2018

The electronic structures, magnetic properties and half-metallicity in $Zr_2RuZ$ (Z = Ga, In, Tl, Ge, Sn, and Pb) alloys with $AlCu_2Mn-$ and $CuHg_2Ti$-type structures were investigated using first-principles density functional theory (DFT) calculations. The calculations showed that $Zr_2RuIn$, $Zr_2RuTl$, $Zr_2RuSn$, and $Zr_2RuPb$ compounds with $CuHg_2Ti$-type structures were half-metallic ferromagnets with half-metallic band gaps of 0.18, 0.24, 0.22, and 0.27 eV, respectively. The half-metallicity originated from d-d and covalent hybridizations between the transition metals Zr and Ru. The total magnetic moments of the $Zr_2RuZ$ (Z = In, Tl, Sn, and Pb) compounds with $CuHg_2Ti$-type structures were integer values of $1{\mu}B$ and $2{\mu}B$, which is in agreement with Slater-Pauling rule ($M_{tot}=Z_{tot}-18$). Among these compounds, $Zr_2RuIn$ and $Zr_2RuTl$ were half-metals over relatively wide regions of the lattice constants, indicating that these two new Heusler alloys are ideal candidates for use in spintronic devices.

• Journal of the Mineralogical Society of Korea
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• v.20 no.4
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• pp.313-325
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• 2007

In order to have better insights into adsorption of organic molecules on kaolinite surfaces, we performed quantum chemical calculations of interaction between three different model clusters of kaolinite siloxane surfaces and benzyl alcohol, with emphasis on the effect of size and lattice topology of the cluster on the variation of electron density and magnetic shielding tensor. Model cluster 1 is an ideal silicate tetrahedral surface that consists of 7 hexagonal rings, and model cluster 2 is composed of 7 ditrigonal siloxane rings with crystallographically distinct basal oxygen atoms in the cluster, and finally model cluster 3 has both tetrahedral and octahedral layers. The Mulliken charge analysis shows that siloxane surface of model cluster 3 undergoes the largest electron density transfer after the benzyl alcohol adsorption and that of model cluster 1 is apparently larger than that of model cluster 2. The difference of Mulliken charges of basal oxygen atoms before and after the adsorption is positively correlated with hydrogen bond strength. NMR chemical shielding tensor calculation of clusters without benryl alcohol shows that three different basal oxygen atoms (O3, O4, and O5) in model cluster 2 have the isotropic magnetic shielding tensor as $228.2{\pm}3.9,\;228.9{\pm}3.4,\;and\;222.3{\pm}3.0ppm$, respectively. After the adsorption, the difference of isotropic chemical shift varies from 1 to 5.5 ppm fer model cluster 1 and 2 while model cluster 2 apparently shows larger changes in isotropic chemical shift. The chemical shift of oxygen atoms is also positively correlated with electron density transfer. The current results show that the adsorption of benzyl alcohol on the kaolinite siloxane surfaces can largely be dominated by a weak hydrogen bonding and electrostatic force (charge-charge interaction) and demonstrate the importance of the cluster site and the lattice topology of surfaces on the adsorption behavior of the organic molecules on clay surfaces.

• Journal of the Mineralogical Society of Korea
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• v.24 no.4
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• pp.313-320
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• 2011

Mica-type phyllosilicate particles in the shales of the Manhang formation at the Taeback area in the Kangwon Province were studied using electron probe microanalysis (EPMA) and transmission electron microscopy (TEM). The average chemical formula of the mica-type phyllosilicate mineral analysed by EPMA is $K_{1.35}(Fe_{0.18}Mg_{0.03}Al_{3.86})(Si_{6.55}Al_{1.45})O_{20}(OH)_4$. Low K contents compared to the ideal chemistry of muscovite indicate the presence of illite in the mica-type phyllosilicate particle. X-ray diffraction study showed that pyrophyllite commonly coexists with muscovite in the shales from the Manhang Formation. TEM observations showed both the interlayer and intralayer mixing of $9.3-{\AA}$ pyrophyllite and $10-{\AA}$ muscovite layers. The low K content of the mica-type phyllosilicates apparently come from the close mixing of pyrophyllite and muscovite.

• Proceedings of the Materials Research Society of Korea Conference
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• 2011.05a
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• pp.243.2-243.2
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• 2011

ZnO materials with a wide band gap of approximately 3.3 eV has been used in transparent conducting oxides (TCO) due to exhibitinga high optical transmission, but its low conductivity acts as role of a limitation for conducting applications. Recently, Ga or Al-doped ZnO (GZO, AZO) becomes transparent conducting materials because of high optical transmission and excellent conductivity. However, the fundamental mechanism underlying the improvement of electrical conductivity of the GZO is still the subject of debate. In this study, we have fully investigated the reasons of high conductivity through the characterization of plane defects, crystal orientation, doping contents, crystal structure in Zn1-xGaxO (x=0, 3, 5.1, 5.6, 6.6 wt%). We manufactured Zn1-xGaxO by sintering ZnO and Ga2O3 powers, having a theoretical density of 99.9% and homogeneous Ga-dopant distribution in ZnO grains. The GZO containing 5.6 wt% Ga represents the highest electrical conductivity of $7.5{\times}10^{-4}{\Omega}{\cdot}m$. In particular, many twins and superlattices were induced by doping Ga in ZnO, revealed by X-ray diffraction measurements and TEM (transmission electron microscopy) observations. Twins developed in conventional ZnO crystal are generally formed at (110) and (112) planes, but we have observed the twins at (113) plane only, which is the first report in ZnO material. Interestingly, the superlattice structure was not observed at the grains in which twins are developed and the opposite case was true. This structural change in the GZO resulted in the difference of electrical conductivity. Enhancement of the conductivity was closely related to the extent of Ga ordering in the GZO lattice. Maximum conductivity was obtained at the GZO with a superlattice structure formed ideal ordering of Ga atoms.

• Korean Journal of Crystallography
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• v.2 no.2
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• pp.7-12
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• 1991

C13H1SN203, Mr=250.29, is monoclinic, space group P21/a with a=8.765(4), b=17.679(3), c= 9.238(4) A, b=105.6(3)A, Z=4, V=1378.53 A3, A (Mo Ka)=0.71069 A, F(000)=536, T=299, R=0.080 for 1783 unique observed reflections with I > 1.0 σ(I). The structure was solved by direct methods and relined by cascade diagona! least-squares refinement. The C-H bond lengths and methyl groups were fixed and refined as their ideal geometry. One of two ethoxy groups is more twisted by 1 was compared with another. There is one hydrogen bond in the crystal lattice, N H‥‥0= 2.789A, forming a molecular pair packing along the b-axis.

• Journal of the Society of Naval Architects of Korea
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• v.56 no.5
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• pp.410-417
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• 2019

An axisymmetric submerged body(L=5.6m, Diam=0.53m) is installed in Large Cavitation Tunnel (LCT) of KRISO and the nominal and total velocities without and with the propeller in operation, respectively, are measured using Laser Doppler Velocimeter (LDV). The flow field is nearly axisymmetric except the wake of the supporting strut, and is considered ideal to study the hydrodynamic interaction between the propeller and the oncoming axisymmetric sheared flow. The measured velocity data are then provided to compute the propeller-induced velocity to get the effective velocity, which is defined by subtracting the propeller-induced velocity from the total velocity. We adopted, in computing the induced velocity, two different methods including the vortex lattice method and the vortex tube actuator model to evaluate the resultant effective velocity distribution. To secure a fundamental base of experimental data necessary for the research on the effective wake, we measured the drag of the submerged body, the nominal and total velocity distributions at various axial locations for three different tunnel water speeds.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.284-284
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• 2016

Topological insulator (TI) is a bulk-insulating material with topologically protected Dirac surface states in the band gap. In particular, $Bi_2Se_3$ attracted great attention as a model three-dimensional TI due to its simple electronic structure of the surface states in a relatively large band gap (~0.3 eV). However, experimental efforts using $Bi_2Se_3$ have been difficult due to the abundance of structural defects, which frequently results in the bulk conduction being dominant over the surface conduction in transport due to the bulk doping effects of the defect sites. One promising approach in avoiding this problem is to reduce the structural defects by heteroepitaxially grow $Bi_2Se_3$ on a substrate with a compatible lattice structure, while also preventing surface degradation by encapsulating the pristine interface between $Bi_2Se_3$ and the substrate in a clean growth environment. A particularly promising choice of substrate for the heteroepitaxial growth is hexagonal boron nitride (h-BN), which has the same two-dimensional (2D) van der Waals (vdW) layered structure and hexagonal lattice symmetry as $Bi_2Se_3$. Moreover, since h-BN is a dielectric insulator with a large bandgap energy of 5.97 eV and chemically inert surfaces, it is well suited as a substrate for high mobility electronic transport studies of vdW material systems. Here we report the heteroepitaxial growth and characterization of high quality topological insulator $Bi_2Se_3$ thin films prepared on h-BN layers. Especially, we used molecular beam epitaxy to achieve high quality TI thin films with extremely low defect concentrations and an ideal interface between the films and substrates. To optimize the morphology and microstructural quality of the films, a two-step growth was performed on h-BN layers transferred on transmission electron microscopy (TEM) compatible substrates. The resulting $Bi_2Se_3$ thin films were highly crystalline with atomically smooth terraces over a large area, and the $Bi_2Se_3$ and h-BN exhibited a clear heteroepitaxial relationship with an atomically abrupt and clean interface, as examined by high-resolution TEM. Magnetotransport characterizations revealed that this interface supports a high quality topological surface state devoid of bulk contribution, as evidenced by Hall, Shubnikov-de Haas, and weak anti-localization measurements. We believe that the experimental scheme demonstrated in this talk can serve as a promising method for the preparation of high quality TI thin films as well as many other heterostructures based on 2D vdW layered materials.