• Nuclear Engineering and Technology
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• v.34 no.3
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• pp.202-210
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• 2002

The details of the electronic structure of the perfect crystal provides a critically important foundation for understanding the various defect states in uranium dioxide. In order to understand the local defect and impurity mechanism, the calculation of electronic structure of UO$_2$ in the one-electron approximation was carried out, using a semi-empirical tight-binding formalism(LCAO) with and without f-orbitals. The energy band, local and total density of states for both spin states are calculated from the spectral representation of Green’s function. The bonding mechanism in Perfect lattice of UO$_2$ is discussed based upon the calculations of band structure, local and total density of states.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.203-203
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• 2011

Metastable statates, resonant states in 4s level and excited states in 4p level were investigated with a simple global model and examined by the LIF experiments. Metastable states exhibit an anomalous behavior with the plasma density, on the other hands, other states show monotonous increasing behaviors. It turns out that the metastable state can have such an anomalous behavior due to its special characteristic, electric dipole radiation forbidden. It is expected to resolve the ambiguity of previously reported metastable density behaviors and provide further understanding.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1995.11a
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• pp.52-57
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• 1995

An accurate and efficient single-integral semi-numerical model is developed and applied to analyse effects of localized electronic states in the mobility gap on the drain-current versus gale-voltage characteristics of hydrogenated amorphous field-effect transistors. It is shown that the low-density deep-gap states distributed in the midgap also sensitively and largely influence the device electronic performance as well as well as the large-density tail states distributed near the conduction band edge.

• Korean Journal of Materials Research
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• v.29 no.8
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• pp.477-482
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• 2019

The magnetic properties and electronic structures of the B20 crystal structure MnGe and MnSi were investigated using the density functional theory with local density approximation. The low symmetry of the B20 crystal structure plays a very important role to make electromagnetic characteristics of these materials. The important result of the calculations is that it can be observed the appearance of a pair of gaps in the density of states near the Fermi level in both compounds. These features are results from d-band splitting by the low symmetry of the crystal field from B20 crystal structure. It can be seen that there is half-metallic characteristics from the density of states in both compounds. The calculation shows that the value of magnetic moment of MnGe is 5 times bigger than that of MnSi even though they have same crystal structure. The electronic structures of paramagnetic case have a very narrow indirect gap just above the Fermi level in both compounds. These gaps acquire some significance in establishing the stability of the ferromagnetic states within the local density approximation. Calculation shows that the Mn 3d character dominates the density of states near the Fermi level in both materials.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.156-156
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• 2000

Recently, the surface electronic states have attracted much attention since their standing wave patterns created around steps, defects, and adsorbates on noble metal surfaces such as Au(111), Ag(110), and Cu(111) were observed by scanning tunneling microscopy (STM). As a typical example, a striking circular pattern of "Quantum corral" observed by Crommie, Lutz, and Eigler, covers a number of text books of quantum mechanics, demonstrating a wavy nature of electrons. After the discoveries, similar standing waves patterns have been observed on other metal and demiconductor surfaces and even on a side polane of nano-tubes. With an expectation that the surface states could be utilized as one of ideal cases for studying two dimensionakl (sD) electronic system, various properties, such as mean free path / life time of the electronic states, have been characterized based on an analysis of standing wave patterns, . for the 2D electron system, electron density is one of the most importnat parameters which determines the properties on it. One advantage of conventional 2D electron system, such as the ones realized at AlGaAs/GaAs and SiO2/Si interfaces, is their controllability of the electrondensity. It can be changed and controlled by a factor of orders through an application of voltage on the gate electrode. On the other hand, changing the leectron density of the surface-state 2D electron system is not simple. On ewqy to change the electron density of the surface-state 2D electron system is not simple. One way to change the electron density is to deposit other elements on the system. it has been known that Pd(111) surface has unoccupied surface states whose energy level is just above Fermi level. Recently, we found that by depositing Pd on Cu(111) surface, occupied surface states of Cu(111) is lifted up, crossing at Fermi level around 2ML, and approaches to the intrinsic Pd surface states with a increase in thickness. Electron density occupied in the states is thus gradually reduced by Pd deposition. Park et al. also observed a change in Fermi wave number of the surface states of Cu(111) by deposition of Xe layer on it, which suggests another possible way of changing electron density. In this talk, after a brief review of recent progress in a study of standing weaves by STM, I will discuss about how the electron density can be changed and controlled and feasibility of using the surface states for a study of 2D electron system. One of the most important advantage of the surface-state 2D electron system is that one can directly and easily access to the system with a high spatial resolution by STM/AFM.y STM/AFM.

• JSTS:Journal of Semiconductor Technology and Science
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• v.5 no.2
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• pp.83-88
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• 2005

The interface-states between the top silicon layer and buried oxide layer of nano-SOI substrate were developed. Also, the effects of thermal treatment processes on the interface-state distributions were investigated for the first time by using pseudo-MOSFETs. We found that the interface-state distributions were strongly influenced by the thermal treatment processes. The interface-states were generated by the rapid thermal annealing (RTA) process. Increasing the RTA temperature over $800^{\circ}C$, the interface-state density considerably increased. Especially, a peak of interface-states distribution that contributes a hump phenomenon of subthreshold curve in the inversion mode operation of pseudo-MOSFETs was observed at the conduction band side of the energy gap, hut it was not observed in the accumulation mode operation. On the other hand, the increased interface-state density by the RTA process was effectively reduced by the relatively low temperature annealing process in a conventional thermal annealing (CTA) process.

• 한국정보디스플레이학회:학술대회논문집
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• 2006.08a
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• pp.718-722
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• 2006

The dependence of n-channel 2 shot SLS poly-Si TFT characteristics on the DOS (density of states) parameters was investigated by using a device simulation. Device performances were most sensitive to the DOS of poly-Si/gate insulator (GI) interface and poly-Si active layer. Deep level states at the poly-Si/GI interfaces strongly affect the subthreshold slope.

• Bulletin of the Korean Chemical Society
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• v.19 no.1
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• pp.93-98
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• 1998

The molecular geometries and harmonic vibrational frequencies of biphenyl in the ground and the first excited triplet states have been calculated using the Hartree-Fock and Becke-3-Lee-Yang-Parr (B3LYP) density functional methods with 6-31G* basis set. Structural change occurs from a twisted benzene-like to a planar quinone-like form upon the excitation to the first excited state. Scaled harmonic vibrational frequencies for the ground state obtained from the B3LYP calculation show good agreement with the available experimental data. A few vibrational fundamentals for both states are newly assigned based on the B3LYP results.

• Journal of the Korean Institute of Telematics and Electronics
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• v.25 no.10
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• pp.1202-1208
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• 1988

The electron density and electronic states in n- AlGaAs/GaAs heterointerface are calculated by using classical- and quantum-mechanics, respectively. We examine the effects of spacer layer thickness and doping concentration in AlGaAs layer on 2DEG density. Also, the dependences of electronic states of 2DEG upon temperature and acceptor concentration in GaAs layer are investigated.

• Journal of Korean Society of Transportation
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• v.22 no.3 s.74
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• pp.179-201
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• 2004

Online traffic flow modeling is attracting more attention due to intelligent transport systems and technologies. The flow-density relation plays an important role in traffic flow modeling and provides a basic way to illustrate traffic flow behavior under different traffic flow and traffic density conditions. Until now the research effort has focused mainly on the shape of the relation. The time series of the relation has not been identified clearly, even though the time series of the relation reflects the upstream/downstream traffic conditions and should be considered in the traffic flow modeling. In this paper the flow-density relation is analyzed dynamically and interpreted as a states diagram. The dynamic flow-density relation is quantified by applying fuzzy logic. The quantified dynamic flow-density relation builds the basis for online application of a macroscopic traffic flow model. The new approach to online modeling of traffic flow applying the dynamic flow-density relation alleviates parameter calibration problems stemming from the static flow-density relation.