• 한국결정학회지
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• 제11권3호
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• pp.176-181
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• 2000

Computer-based atomistic simulation methods are applied to address quantitatively the crystal defect chemistry of strontium hexaaluminate, SrAl/sub 12/O/sub 19/. Our calculations show that oxygen Frenkel disorder is the dominant intrinsic defect mode to be expected in the multi-component oxide, though Schottky disorder may also exist. When La and Mg enter into SrAl/sub 12/O/sub 19/. Mg prefers to occupy Al(3)4f tetrahedral sites in the magnetoplumbite structure. Our calculations also indicate that O/sub Sr/ defect is improbable in the structure.

• 한국세라믹학회지
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• 제36권12호
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• pp.1335-1341
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• 1999

The electrical conductivity ($\sigma$) of TiO2 doped with 0.05-4.0mol% Nb2O5 was measured in the oxygen partial pressure range of 10-17 to 100 atm and temperature range of 1100 to 130$0^{\circ}C$ to investigate the electrical properties and defect types. The oxygen partial pressure dependence of the electrical conductivity (log$\sigma$/logPo2) above 110$0^{\circ}C$ was divided into the four regions. From these experimental results the following defect regions were proposed ; 1) Magneli phase(extended defect) 2) reduced rutile region where intrinsic defect predominates 3) nearly stoichiometric region which is independent on the oxygen partical pressure and 4) overstoichiometric region which is not observed in pure TiO2 The electrical conductivity of Nb-doped TiO2 depended on the doping content the oxygen partial pressure and the measuring tem-perature.

• 한국결정성장학회지
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• 제11권6호
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• pp.259-263
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• 2001

The continuum model of transient point defect dynamics to predict the concentrations of interstitial and vacancy is established by estimating expressions for the thermophysical properties of intrinsic point defects. And the point defect distribution in a Czochralski-grown 200 mm silicon crystal and the location of oxidation-induced stacking fault ring(OiSF-ring) created during the cooling of crystals are calculated by using the numerical analysis. The purpose of this paper is to show that his approach lead to predictions that are consistent with experimental results. Predicted point defect distributions by transient point defect dynamic analysis are in good qualitative agreement with experimental data under widely and abruptly varying crystal pull rates when correlated with the position of the OiSF-ring .

• EDISON SW 활용 경진대회 논문집
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• 제6회(2017년)
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• pp.468-472
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• 2017

2차원 InSe 단일층에 존재할 수 있는 vacancy defect인 In vacancy, Se vacancy의 원자구조 및 전자구조 특성을 제일원리계산을 이용해 살펴보았다. InSe $5{\times}5$ supercell을 이용하였으며 total energy를 구해 어떤 구조가 가장 안정한지 찾았다. Relax된 결함구조들을 clean InSe와 비교하여 어떤 변화가 있었는지 특징을 분석하였다. 이러한 intrinsic 결함들이 각각 어떤 구조로 relaxation되는지 살펴보고 clean InSe와 비교해보았다. 또한 각 결함구조의 density of states (DOS), projected density of states (PDOS)와 band structure를 clean InSe와 비교해봄으로써 defect state가 어떻게 나타나는지를 찾아보았다.

• 한국진공학회지
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• 제18권2호
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• pp.127-132
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• 2009

Sb에 기초한 응력 초격자 적외선검출소자의 구성 물질인 도핑하지 않은 기판 GaSb 결정과 GaSb/SI-GaAs 박막에 잔존하고 있는 진성결함 (intrinsic defect)을 비교 조사하였다. 상온 근처 (250 K)까지 광여기 발광 (PL)을 보이는 GaSb 결정에서의 발광 에너지의 온도의존성으로부터, 밴드갭 에너지에 관한 경험식인 Varshni 함수의 파라미터 ($E_o$, $\alpha$, $\beta$)를 결정하였다. GaAs 기판 위에 성장된 이종 GaSb 박막에서는 GaSb 주요 진성결함으로 알려져 있는 29 meV의 이온화 에너지를 가지는 위치반전 (antisite) Ga ([$Ga_{Sb}$]) 결함과 함께 위치반전 Sb ([$Sb_{Ga}$])와의 복합결함 ([$Ga_{Sb}-Sb_{Ga}$])과 관련된 것으로 분석된 732/711 meV의 한 쌍의 깊은준위 (deep level)가 관측되었다. PL의 온도 및 여기출력 의존성을 분석하여, Sb-rich상태에서 성장된 GaSb 박막에서는 잉여 Sb의 자발확산 (self-diffusion)에 의하여 치환된 위치전도 [$Ga_{Sb}$] 및 [$Sb_{Ga}$]가 결합하여 [$Ga_{Sb}-Sb_{Ga}$]의 깊은준위를 형성하는 것으로 해석되었다.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2012년도 추계학술대회 논문집
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• pp.635-636
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• 2012

In the present work, investigations by high frequency resonance technique for diagnosis of defect frequencies of linear motion unit are reported. Raw vibration signature of the moving parts at different speeds of operation has been demodulated. Envelope detected spectrum is analyzed to evaluate various defect frequencies and their energy levels. Experimentally evaluated frequencies are compared with theoretically determined defect frequencies. These frequency values and their energy levels are used to monitor intrinsic condition of linear motion unit as well as to establish severity of existing/developed defects on the LM guide and inside the LM block. Relative comparisons of linear motion units of the same type are made at various operating speeds under identical conditions of operation on the basis of identified defect frequencies and severity of defects.

• Bulletin of the Korean Chemical Society
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• 제7권5호
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• pp.341-346
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• 1986

The electrical conductivity of the system ${\alpha}-Fe_2O_3-CoO$ was measured in the temperature range 200-1000$^{\circ}C$ and PO$_{2}$ range 10$^{-7}-2{\times}10^{-1}$ atm. Possible defect models were suggested on the basis of conductivity data, which were measured as a function of temperature and of oxygen partial pressure. The observed activation energies were 0.50 eV and 1.01 eV in the low- and high-temperature regions, respectively. The observed conductivity dependences on PO$_{2}$ were ${\sigma}\;{\alpha}\;PO_2^{-1/6}$ in the PO$_{2}$ range $10^{-7}-10^{-4}$ atm and ${\sigma}\;{\alpha}\;PO_2^{-1/4}$ at PO$_{2}$ 's of $10^{-4}-2{\times}10^{-1}$ atm at temperatures from 300-1000$^{\circ}C$. An extrinsic electron conduction due to an Vo defect and an intrinsic electron conduction due to an Fei' defect were suggested at different temperature and oxygen partial pressure regions, respectively.

• Advances in nano research
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• 제16권1호
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• pp.91-109
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• 2024

Carbon nanotubes are drawing wide attention of research communities and several industries due to their versatile capabilities covering mechanical and other multi-physical properties. However, owing to extreme operating conditions of the synthesis process of these nanostructures, they are often imposed with certain inevitable structural deformities such as single vacancy and nanopore defects. These random irregularities limit the intended functionalities of carbon nanotubes severely. In this article, we investigate the mechanical behaviour of double-wall carbon nanotubes (DWCNT) under the influence of arbitrarily distributed single vacancy and nanopore defects in the outer wall, inner wall, and both the walls. Large-scale molecular simulations reveal that the nanopore defects have more detrimental effects on the mechanical behaviour of DWCNTs, while the defects in the inner wall of DWCNTs make the nanostructures more vulnerable to withstand high longitudinal deformation. From a different perspective, to exploit the mechanics of damage for achieving defect-induced shape modulation and region-wise deformation control, we have further explored the localized longitudinal and transverse spatial effects of DWCNT by designing the defects for their regional distribution. The comprehensive numerical results of the present study would lead to the characterization of the critical mechanical properties of DWCNTs under the presence of inevitable intrinsic defects along with the aspect of defect-induced spatial modulation of shapes for prospective applications in a range of nanoelectromechanical systems and devices.

• 한국세라믹학회지
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• 제28권2호
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• pp.141-145
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• 1991

LEC법으로 성장된 GaAs의intrinsic defect에 의해서 형성된electron 및 hole trap의 농도와 성장시의 melt stoichiometry 와의 정량적 상관 관계를 DLTS법을 이용하여 분석하였다. EL2는 melt중 As의 분을 ([As]/{[As]+[Ga]})이 1.5에서 0.42까지 변하면 그 농도가 $10^{16}cm^{-3}$에서 $10^{11}cm^{-3}$정도로 감소되며, 이때 분율이 0.46 이하에서는 그 이상에서보다 As의 감소에 따라 급격히 감소하였다. 68meV 및 77/220meV의 경우는 As의 분율이 감소하면 증가하여 각각 $10^{15}cm^{-3}$ 및 $10^{14}cm^{-3}$ 정도의 농도를 가진다. 따라서 이 trap들은$GS^{AS}$와 관련된 defect들에 의해서 형성되었음을 알 수 있다.

• The Korean Journal of Ceramics
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• 제2권3호
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• pp.131-136
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• 1996

The electrical conductivity of polycrystalline TiO2 samples was measured over the temperature range 1000°-1400℃ and from 0.21 to 10-16 atm of oxygen. Based on the excellent fit observed between the theoretically derived relatin σ3=(Aσ+B)Po2-1/2+D'σ2 and the experimental conductivity data, the nonstoichimetric defect structure of TiO2 was rationalized in terms of a defect model involving quasi-free electrons and both singly and doubly ionized oxygen vacancies. The standard enthalpy of formation for the following defect reactions in TiO2. (a) OO={{{{ { 1} over {2 } }}O2(g)+VO+e'; Δ{{{{ { H}`_{o } ^{a } }}=5.15(eV) (b) OO={{{{ { 1} over {2 } }}O2(g)+VO+2e'; Δ{{{{ { H}`_{0 } ^{ a} }}=6.30(eV) (c) VO=VO+e'; Δ{{{{ { H}`_{0 } ^{a } }}=1.15(eV) were determined from the temperature dependence of A and B obtained from the above relation and from the experimental expression between the electron mobility and temperature. The electrical conductivity of TiO2 in air below approximately 950℃ appears, on the basis of this investigation, to be impurity controlled due to the presence of aluminum rather than intrinsic conduction.