• 한국세라믹학회지
• /
• 제34권8호
• /
• pp.843-853
• /
• 1997

The effect of dopant on microwave dielectric properties of (1-x)MgTiO3-xCaTiO3 ceramics, known to be used as microwave dielectric resonators for global positioning system and personal communication system, has been analyzed in terms of variations in defect concentrations and microstructural features with its addition. The addition of dopants was revealed to result in a significant change in the microstructure as well as defect concentration of the ceramics. For instance, the quality factor is proportional to sintered density of the ceramics by inversely proportional to grain size as well as vacancy concentration. Accordingly, it is believed that the dopant effect on the microwave dielectric properties should be separately analyzed with either microstructural change or the change in vacancy concentration.

• 한국자기학회:학술대회 개요집
• /
• 한국자기학회 2007년도 동계학술연구발표회 및 스핀트로닉스와 나노물리에관한 국제심포지움
• /
• pp.140-140
• /
• 2007

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2010년도 제39회 하계학술대회 초록집
• /
• pp.54-55
• /
• 2010

Vacancy defects in graphene can be created by electron or ion irradiation and those induce ripples which can change the electronic properties of graphene. Recently, the formation of defect structures such as vacancy defects and non-hexagonal rings has been reported in the high resolution transmission electron microscope (HR-TEM) of reduced graphene oxide [1]. In those HR-TEM images, it is noticed that the dislocations with pentagon-heptagon (5-7) pairs are formed and diffuses. Interestingly, it is also observed that two 5-7 pairs are separated and diffuse far away from each other. The separation of 5-7 pairs has been known to be due to their self-diffusion. However, from our tight-binding molecular dynamics simulation, it is found that the separation of 5-7 pairs is due to the diffusion of single vacancy defects and coalescence with 5-7 pairs. The diffusion and coalescence of single vacancy defects is too fast to be observed even in HR-TEM. We also implemented Van der Waals interaction in our tight-binding carbon model to describe correctly bi-layer and multi-layer graphene. The compressibility of graphite along c-axis in our tight-binding calculation is found to be in excellent agreement with experiment. We also discuss the difference between single layer and bi-layer graphene about vacancy diffusion and reconstruction.

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2009년도 제38회 동계학술대회 초록집
• /
• pp.340-340
• /
• 2010

Various structures of vacancy defects in graphene layers and carbon nanotubes have been reported by high resolution transmission electron microscope (HR-TEM) and those arouse an interest of reconstruction processes of vacancy defects. In this talk, we present reconstruction processes of vacancy defects in a graphene and a carbon nanotube by tight-binding molecular dynamics (TBMD) simulations and by first principles total energy calculations. We found that a structure of a dislocation defect with two pentagon-heptagon (5-7) pairs in graphene becomes more stable than other structures when the number of vacancy units is ten and over. The simulation study of scanning tunneling microscopy reveals that the pentagon-heptagon pair defects perturb the wavefunction of electrons near Fermi level to produce the $\sqrt{3}\;{\times}\;\sqrt{3}$ superlattice pattern, which is in excellent agreement with experiment. It is also observed in our tight-binding molecular dynamics simulation that 5-7 pair defects play a very important role in vacancy reconstruction in a graphene layer and carbon nanotubes.

• Steel and Composite Structures
• /
• 제34권2호
• /
• pp.261-277
• /
• 2020

The main objective of this research paper is to consider vibration analysis of vacancy defected graphene sheet as a nonisotropic structure via molecular dynamic and continuum approaches. The influence of structural defects on the vibration of graphene sheets is considered by applying the mechanical properties of defected graphene sheets. Molecular dynamic simulations have been performed to estimate the mechanical properties of graphene as a nonisotropic structure with single- and double- vacancy defects using open source well-known software i.e., large-scale atomic/molecular massively parallel simulator (LAMMPS). The interactions between the carbon atoms are modelled using Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential. An isogeometric analysis (IGA) based upon non-uniform rational B-spline (NURBS) is employed for approximation of single-layered graphene sheets deflection field and the governing equations are derived using nonlocal elasticity theory. The dependence of small-scale effects, chirality and different defect types on vibrational characteristic of graphene sheets is investigated in this comprehensive research work. In addition, numerical results are validated and compared with those achieved using other analysis, where an excellent agreement is found. The interesting results indicate that increasing the number of missing atoms can lead to decrease the natural frequencies of graphene sheets. It is seen that the degree of the detrimental effects differ with defect type. The Young's and shear modulus of the graphene with SV defects are much smaller than graphene with DV defects. It is also observed that Single Vacancy (SV) clusters cause more reduction in the natural frequencies of SLGS than Double Vacancy (DV) clusters. The effectiveness and the accuracy of the present IGA approach have been demonstrated and it is shown that the IGA is efficient, robust and accurate in terms of nanoplate problems.

• 한국자기학회지
• /
• 제19권5호
• /
• pp.161-164
• /
• 2009

주기적 결함이 철 단층의 자성에 미치는 영향을 탐구하기 위해 전전자 총퍼텐셜 보강평면파 에너지 띠 방법을 이용하여 전자구조를 계산하였다. 결함은 원자 한 개가 빈 점결함, 각기 3개, 5개, 7개의 원자자리가 비어 있는 I 자형, + 모양, H 자 모양을 고려하였다. 빈자리에 가까이 있는 철 원자의 자기모멘트가 가장 컸으며, 결함의 원자수가 증가할수록 그 값도 증가하여, 점결함의 경우 3.08 보어마그네톤이었으며, I 자형, + 모양 및 H자 모양의 경우 각기 3.09, 3.15, 3.30 보어마그네톤이었다.

• 한국전기전자재료학회:학술대회논문집
• /
• 한국전기전자재료학회 2010년도 하계학술대회 논문집
• /
• pp.378-378
• /
• 2010

The ZnSe epilayers were grown on the GaAs substrate by hot wall epitaxy. After the ZnSe epilayers treated in the vacuum-, Zn-, and Se-atmosphere, respectively, the defects of the epilayer were investigated by means of the low, temperature photoluminescence measurement. The dominant peaks at 2.7988 eV and 2.7937 eV obtained from the PL spectrum of the as-grown ZnSe epilayer were found to be consistent with the upper and the lower polariton peak of the exciton, $I_2$ ($D^{\circ}$, X), bounded to the neutral donor associated with the Se-vacancy. This donor-impurity binding energy was calculated to be 25.3 meV. The exciton peak, $I_l^d$, at 2.7812 eV was confirmed to be bound to the neutral acceptor corresponded with the Zn-vacancy.

• 한국세라믹학회지
• /
• 제56권3호
• /
• pp.302-307
• /
• 2019

The intrinsic oxygen-vacancy defects in ZnO have prevented the preparation of p-type ZnO with high carrier concentration. Therefore, in this work, the effect of the concentration of H₂O₂ (used as an oxygen source) on the oxygen-vacancy concentration in ZnO prepared by atomic layer deposition was investigated. The results indicated that the oxygen-vacancy concentration in the ZnO film decreased by the oxygen-rich growth conditions when using H₂O₂ as the oxygen precursor instead of a conventional oxygen source such as H₂O. The suppression of oxygen vacancies decreased the carrier concentration and increased the resistivity. Moreover, the growth orientation changed to the (002) plane, from the combined (100) and (002) planes, with the increase in H₂O₂ concentration. The passivation of oxygen-vacancy defects in ZnO can contribute to the preparation of p-type ZnO.

• 한국연소학회:학술대회논문집
• /
• 한국연소학회 2005년도 제31회 KOSCO SYMPOSIUM 논문집
• /
• pp.328-336
• /
• 2005

Effects of surface defect distribution on flame instability during flame-surface interaction are experimentally investigated. To examine the chemical quenching phenomenon, we prepared thermally grown silicon oxide plates with well-defined defect density. Ion implantation was used to control the number of defects, i.e. oxygen vacancies. In an attempt to preferentially remove the oxygen atoms from silicon dioxide surface, argon ions with low energy level from 3keV to 5keV were irradiated at the incident angle of $60^{\circ}C$. Compositional and structural modification of $SiO_2$ induced by low-energy $Ar^+$ ion irradiation has been characterized by Atomic Force Microscopy (AFM) and X-ray Photoelectron Spectroscopy (XPS). The analysis shows that as the ion energy increases, the number of structural defect also increases and non-stoichiometric condition of $SiO_x(x{\le}2)$ plates is enhanced. From the quenching distance measurements, we found out that when the surface temperature is under $300^{\circ}C$, the quenching distance decreases on account of reduced heat loss; as the surface temperature increases over $300^{\circ}C$, however, quenching distance increases despite reduced heat loss effect. Such aberrant behavior is caused by heterogeneous chemical reaction between active radicals and surface defect sites. The higher defect density, the larger quenching distance. This results means that chemical quenching is governed by radical adsorption and can be parameterized by the oxygen vacancy density on the surface.

• 한국결정성장학회지
• /
• 제1권1호
• /
• pp.5-16
• /
• 1991

희토류 금속 산화물(RE=Ce, Pr, Nd, Eu, Er)을 1wt% 첨가한 큐빅 $ZrO_2(10 mol% Y_2O_3)$단결정을 스컬법으로 육성하였다. 육성된 단결정의 (111) 면에서의 임피던스 분석에 의한 전기적 성질을 조사하였다. 낮은 온도($500^{\circ}C$)에서 온도와 전기전도도와의 관계를 plot하였으며 $약300-400^{\circ}C$ 사이에서 전이를 관찰하였다. 저온 (전이전)과 고온(전이후 $50^{\circ}C$까지)산소 vacancy 이동에 관한 활성화 에너지를 구하였으며 전이로 인한 활성화 에너지의 차이는 안정제로 첨가한 이트륨 이온과 희토류 dopant 그리고 산소 vacancy와의 defect complexes를 붕괴하고 이온전도에 참여하게되는 산소 vacancy 형성에 관한 활성화 에너지로 볼 수 있다. yttria가 첨가됨에 따라, 또 희토류 산화물들의 첨가에 따른 활성화 에너지를 구하였으면 이온전도기구를 논의하였다. 육성된 단결정들은 첨가된 dopantdp 기인하여 Ce은 orang-red, Pr은 golden-yellow, Nd는 lilac, Eu는 옅은 pink, Er은 pink색으로 발현하였으며 가시광선 영역에서 광흡수 결과로서 나타내었다.