• 한국결정성장학회지
• /
• 제9권4호
• /
• pp.402-416
• /
• 1999

The thermal distributions near the growth interface of 150nm CZ crystals were measured by three thermocouples installed at the center, middle (half radius) and edge (10nm from surface) of the crystals. The results show that larger growth rates produced smaller thermal gradients. This contradicts the widely used heat flux balance equation. Using this fact, it is confirmed in CZ crystals that the type of point defects created is determined by the value of the thermal gradient(G) near the interface during growth, as already reported for FZ crystals. Although depending on the growth systems the effective length of the thermal gradient for defect generation are varied, we defined the effective length as 10n,\m from th interface in this experiment. If the G is roughly smaller than 20C/cm, vacancy rich CZ crystals are produced. If G is larger than 25C/cm, the species of point defects changes dramatically from vacancies to interstitials. The experimental results after detaching FZ and CZ crystals from the melt show that growth interfaces are filled with vacancies. We propose that large G produces shrunk lattice spacing and in order to relax such lattice excess interstitials are necessary. Such interstitials recombine with vacancies which were generated at the growth interface, nest occupy interstitial sites and residuals aggregate themselves to make stacking faults and dislocation loops during cooling. The shape of the growth interface is also determined by te distributions of G across the interface. That is, the small G and the large G in the center induce concave and convex interfaces to the melts, respectively.

• Nuclear Engineering and Technology
• /
• 제56권4호
• /
• pp.1480-1489
• /
• 2024

Displacement cascade behaviors of Ti-6Al-4V alloys are investigated using molecular dynamics (MD) simulation. The embedded atom method (EAM) potential including Ti, Al and V elements is modified by adding Ziegler-Biersack-Littmark (ZBL) potential to describe the short-range interaction among different atoms. The time evolution of displacement cascades at the atomic scale is quantitatively evaluated with the energy of primary knock-on atom (PKA) ranging from 0.5 keV to 15 keV, and that for pure Ti is also computed as a comparison. The effects of temperature and incident direction of PKA are studied in detail. The results show that the temperature reduces the number of surviving Frenkel pairs (FPs), and the incident direction of PKA shows little correlation with them. Furthermore, the increasing temperature promotes the point defects to form clusters but reduces the number of defects due to the accelerated recombination of vacancies and interstitial atoms at relatively high temperature. The cluster fractions of interstitials and vacancies both increase with the PKA energy, whereas the increase of interstitial cluster is slightly larger due to their higher mobility. Compared to pure Ti, the presence of Al and V is beneficial to the formation of interstitial clusters and indirectly hinders the production of vacancy clusters.

• 한국재료학회지
• /
• 제19권5호
• /
• pp.281-287
• /
• 2009

ZnO thin film was grown on a sapphire single crystal substrate by plasma assisted molecular beam epitaxy. In addition to near band edge (NBE) emissions, both blue and green luminescences are also observed together. The PL intensity of the blue luminescence (BL) range from 2.7 to 2.9 eV increased as the amount of activated oxygen increased, but green luminescence (GL) was weakly observed at about 2.4 eV without much change in intensity. This result is quite unlike previous studies in which BL and GL were regarded as the transition between shallow donor levels such as oxygen vacancy and interstitial zinc. Based on the transition level and formation energy of the ZnO intrinsic defects predicted through the first principle calculation, which employs density functional approximation (DFA) revised by local density approximation (LDA) and the LDA+U approach, the green and blue luminescence are nearly coincident with the transition from the conduction band to zinc vacancies of $V^{2-}_{Zn}$ and $V^-_{Zn}$, respectively.

• 한국재료학회지
• /
• 제23권9호
• /
• pp.537-542
• /
• 2013

Two types of Tb- and Na-substituted green phosphors $Ca_{(1-1.5x)}WO_4:Tb_x^{3+}$: and $Ca_{(1-2x)}WO_4:Tb_x^{3+},Na_x^+$ were synthesized with various x values, using a solid-state reaction. The former phosphors contained both substitutional and vacancy point defects, while the later had only substitutional defects. X-ray diffraction results showed that the main diffraction peak, (112), was centered at $2{\theta}=28.72^{\circ}$ and indicated that there was no basic structural deformation caused by substitutions or vacancies. The photoluminescence emission and photoluminescence excitation spectra revealed the optical properties of trivalent terbium ions, $Tb^{3+}$. Typical transitions, $^5D_3{\rightarrow}^7F_6,\;^7F_5,\;^7F_4$ and $^5D_4{\rightarrow}^7F_6,\;^7F_5,\;^7F_4,\;^7F_3$, and cross relaxations were observed. Subtle differences in the photoluminescence of green phosphors were observed as a result of the point defects. The FT-IR spectra indicated that some of the ungerade vibrational modes had shifted positions and changed shapes, spreading out over a wide range of frequencies. This change can be attributed to the different masses of $Tb^{3+}$ and $Na^+$ ions and $V_{Ca}$" vacancies compared to $Ca^{2+}$ ions. The gerade normal modes of the Raman spectra exhibited subtle differences resulting from point defects in $Ca_{(1-1.5x)}Tb_xWO_4$ and $Ca_{(1-2x)}Tb_xNa_xWO_4$.

• 전기전자학회논문지
• /
• 제27권4호
• /
• pp.556-560
• /
• 2023

본 연구에서는 4H-SiC Epi Surface에 Nitrogen implantation 공정이 깊은준위결함과 lifetime에 미치는 영향을 비교분석하였다. Deep Level Transient Spectroscopy (DLTS)와 Time Resolved Photoluminescence (TR-PL)을 사용하여 깊은준위결함과 carrier lifetime을 측정하였다. As-grown SBD에서는 0.16 eV, 0.67 eV, 1.54 eV 에너지 준위와 implantation SBD의 경우 0.15 eV 준위에서의 결함을 측정되었으며, 이는 nitrogen implantation으로 불순물이 titanium 및 carbon vacancy를 대체됨으로 lifetime killer로 알려진 Z_1/2, EH_6/7 준위 결함은 감소하였다.

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
• /
• pp.126-126
• /
• 2016

Understanding adsorption behavior organic molecules at oxide surfaces is very important for the application of organic-inorganic hybrid materials. Recently, monoethanolamine (MEA) adsorbed on $TiO_2$ surface has received great interests because it can lower the work function of $TiO_2$ in photo-electronic devices such as OLED and solar cells. In this study, we investigated the role of surface defects in adsorption behaviors of MEA at the rutile $TiO_2$ (110) surface by combined study of scanning tunneling microscopy and density functional theory calculations. Our results revealed that oxygen vacancy is the most stable adsorption site for MEA on $TiO_2$ (110) surface at low coverage. As coverage increases, the oxygen vacancies are occupied with the molecules and MEA molecules start to adsorb at Ti rows at higher coverages. Our results show that the defects at oxide surfaces and the intermolecular interactions are important factors for determining stable adsorption structure of MEA at $TiO_2$ (110) surfaces.

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2009년도 제38회 동계학술대회 초록집
• /
• pp.61-61
• /
• 2010

In the present work, we present the optimized the hybrid structures of carbon nanotubes (CNTs) and metal nanocomposites including Cu, Al, Co and Ni using the first principle calculations based on the density functional theory. Introduction of CNTs into a metal matrix has been considered to improve the mechanical properties of the metal matrix. However, the binding energy between metals and pristine CNTs wall is known to be so small that the interfacial slip between CNTs and the matrix occurs at a relatively low external stress. The application of defective or functionalized CNTs has thus attracted great attention to enhance the interfacial strength of CNT/metal nanocomposites. Herein, we design the various hybrid structures of the single wall CNT/metal complexes and characterize the interaction between single wall CNTs and various metals such as Cu, Al, Co or Ni. First, differences in the binding energies or electronic structures of the CNT/metal complexes with the topological defects, such as the Stone-Wales and vacancy, are compared. Second, the characteristics of functionalized CNTs with various surface functional groups, such as -O, -COOH, -OH interacting with metals are investigated.We found that the binding energy can be enhanced by the surface functional group including oxygen since the oxygen atom can mediate and reinforce the interaction between carbon and metal. The binding energy is also greatly increased when it is absorbed on the defects of CNTs. These results strongly support the recent experimental work which suggested the oxygen on the interface playing an important role in the excellent mechanical properties of the CNT-Cu composite[1].

• 한국결정성장학회지
• /
• 제1권1호
• /
• pp.66-73
• /
• 1991

During the growth of macroscopically dislocation-free Czochralski silicon crystal, micro precipitates causing stacking faults in the silicon wafer during the oxidation are formed Thermal history the cryscausing acquire during the growth process is known to be a key factor determining the nucleation of this micro precipitates. In this article, various mechanisms suggested on the formation of microdefects in the silicon crystal are reviewed to secure the nucleation mechanism of the micro precipitates causing OSF whose pattern is normally ring or annular in CZ silicon crytal. B-defects which are known as vacancy clustering are considered to be the heterogeneous nucleation sites for the micro precipitates causing OSF in the CZ silicon crystals.

• 한국전기전자재료학회:학술대회논문집
• /
• 한국전기전자재료학회 2006년도 추계학술대회 논문집 Vol.19
• /
• pp.107-108
• /
• 2006

ZnO is a promising material for UV or blue LEDs p-Type ZnO thin films which are imperative for the p-n junction of LEDs are difficult to achieve because of strong compensation of intrinsic defects such as zinc interstitial and oxygen vacancy. The method of codoping group three elements and group five elements is effective for the realization of p-type ZnO films. In this study, We codoped N and Al m ZnO thin films by RF magnetron sputtering and annealed the films in sputtering chamber. Some films showed p-type conductivity m Seeback effect measurement.

• 열처리공학회지
• /
• 제5권4호
• /
• pp.233-239
• /
• 1992

A study of the precipitation process of Al-Li binary alloy at low ageing temperature has been carried by electrical resistivity measurement. Two types of G.P.zones were formed during ageing at low temperature. G.P. (1) zone and G.P. (2) zone have been formed primarily at ageing temperature below $60^{\circ}C$ and at ageing temperature range of $80^{\circ}C$ to $100^{\circ}C$, respectively. Therefore the precipitation process of Al-Li binary alloy was as follows; G.P.(1) zone ${\rightarrow}$ G.P.(2) zone ${\rightarrow}{\delta}^{\prime}{\rightarrow}{\delta}$ G.P. (1) zone might be affected by excess vacancies, but G.P. (2) zone might be affected by secondary defects. clusters and Li-vacancy pairs. The activation energy for formation of G.P. (2) zone is 0.87eV. It is lower than that of Al-Cu alloy.