• 반도체디스플레이기술학회지
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• 제23권4호
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• pp.1-6
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• 2024

The electronic and magnetic properties for 3d-elements doped chalcopyrite (CH) AlSiP₂ and AlGeP₂ ternary alloys are investigated by using a first-principles method. It is noticeable that the half-metallic characteristic of CH-Al(GeV)P₂ and CH-Al(GeCr)P₂ quaternary alloys is appeared. However it does not appear for other Mn, Fe, and Co 3d-elements doped alloys. The clean CH-AlSiP₂ and CH-AlGeP₂ alloys without doped 3d-elements have a quasi energy-gap below the Fermi level. The 3d-elements doped CH-Al[Si,Ge]P₂ ternary alloy exhibits the ferromagnetic state. It is more energetically stable than the other magnetic ones. In the case of V or Cr-doped AlGeP₂ alloy, it is induced a strong coupling between V-3d, Cr-3d and neighboring P-3p (or Ge 4s) electrons. Thus a high magnetic moment of V and Cr is sustained by holes-mediated double-exchange coupling. The holes of partially unoccupied minority Fe-3d (or Mn-3d, or Co-3d) and majority (or minority) P-3p (or Ge-4s) states are hybridized.

• 한국결정학회지
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• 제6권1호
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• pp.1-13
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• 1995

융액인상법에 의해 Cr:A12O3 및 Ti:A12O3 단결정을 육성한 후 인상속도, 회전속도, 주입이온 및 결정육성 분위기와 같은 결정육성요소가 결정의 품질에 미치는 영향을 조사하고, 육성된 결정의 레이저 효율과 분광학적 물성을 측정하였다. 직경 20mm, 길이 100-135mm 크기의 결정을 <001>방위로 육성하였다. Cr:A12O3의 주입농도 0.5w/o, 인상속도 2.0mm/hr, 회전속도 30rpm으로 할 때 질소기체에 의한 비활성 분위기하에서 양질의 Cr:A12O3 결정이 얻어졌다. Ti:A12O3 단결정은 TiO2를 0.25w/o 주입하고 인상속도 1.5mm/hr, 회전속도 30rpm으로 육성할 때, 수소기체에 의한 환원성 분위기하에서 양질의 결정이 얻어졌다. 원자가가 변화하지 않는 Cr3+이온은 원자가가 변화하는 Ti4+이온을 주입할 때보다 효과적으로 탈포되었으며, Fe3+이온은 Ti3+이온에 대해 탈포를 촉진하는 효과가 있었다. Ti:A12O3 단결정 육성시 90% N2 - 10% H2 혼합기체를 사용하여 환원성 분위기를 조성하는 것이 원자가 변화 및 탈포에 좋은 효과를 나타내었다. 흡수 및 형광방출 스펙트럼 조사 결과 Cr:A12O3 단결정에서 4A2 → 4F2 및 4F1 천이에 의한 흡수와 E→4A2(R1) 및 2A→4A2(R2) 천이에 의한 형광방출 천이를 확인하였다. R1 및 R2 천이의 레이저 주파장은 각각 696±5nm 및 692 ±5nm이고, 각 천이의 형광선폭은 12A, 형광수명은 152 μsec로 측정되었다. Ti:A12O3 단결정에서는 4T2→ 4E의 흡수천이와 4E→4T2의 천이에 의해 650nm-1050nm 범위에서 파장가변이 가능한 형광방출천이가 일어남을 확인하였으며 형광수명은 147μsec, figure of merit는 125.4로 측정되었다. Ti:A12O3 단결정으로부터 제조한 레이저봉을 이용하여 레이저 공진한 결과 레이저 발진효율은 9%로 측정되었다.

• Bulletin of the Korean Chemical Society
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• 제32권3호
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• pp.852-856
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• 2011

The lithium ion diffusion coefficients of bare, carbon-coated and Cr-doped $LiFePO_4$ were obtained by fitting the discharge curves of each half cell with Li metal anode. Diffusion losses at discharge curves were acquired with experiment data and fitted to equations. Theoretically fitted equations showed good agreement with experimental results. Moreover, theoretical equations are able to predict lithium diffusion coefficient and discharge curves at various discharge rates. The obtained diffusion coefficients were similar to the true diffusion coefficient of phase transformation electrodes. Lithium ion diffusion is one of main factors that determine voltage drop in a half cell with $LiFePO_4$ cathode and Li metal anode. The high diffusion coefficient of carbon-coated and Cr-doped $LiFePO_4$ resulted in better performance at the discharge process. The performance at high discharge rate was improved much as diffusion coefficient increased.

• 한국결정성장학회지
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• 제23권4호
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• pp.161-166
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• 2013

실리콘 기판 위에 GaN를 성장하기 위해서 AlN 완충층을 사용해 왔다. 그러나 AlN은 아직까지 high doping이 쉽지 않기 때문에, 이로 인해 AlN를 전자소자나 광소자 제작을 위한 완충층으로 이용하는 경우 직렬 저항의 증가라는 문제가 발생할 수 있다. 본 연구에서는 이러한 문제점을 개선하기 위해 AlN 완충층 대신에 금속 완충층을 사용하여 실리콘 기판 위에 GaN 박막 성장실험을 수행하였다. Al, Ti, Cr 그리고 Au 등을 금속 완충층으로 사용하여 실리콘 기판 위에 GaN 층을 성장하였다. 성장된 GaN 박막의 표면 특성을 분석하기 위해 광학현미경과 SEM을 사용하였고, 결정성과 광학적 특성을 평가하기 위하여 PL과 XRD 분석을 실시하였으며 AlN 완충층을 사용한 경우와 금속 완충층을 사용한 경우의 저항 차이를 확인하기 위하여 전류-전압 특성을 측정하였다.

• 한국결정성장학회지
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• 제7권2호
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• pp.334-340
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• 1997

불순물 주입에 의한 $SrTiO_3$ 박막의 전기적 특성 개선에 관하여 연구하였다. 잉여 SrO가 첨가되고 Fe, Cr 이온이 불순물 도핑된 박막은 $550^{\circ}C$, $Ar/O_2$비를 변화시키면서 형성되었다. 어셉터 이온 도핑에 의한 누설전류 특성이 개선됨을 알 수 있었다. 5 mol% SrO가 첨가되고, $550^{\circ}C$, $Ar/O_2$비가 5 : 5에서 형성된 $SrTiO_3$ 박막의 유전상수 값은 320, 누설전류 밀도는 $1.0 {\times} 1.0 A/\textrm{cm}^2$까지 개선될 수 있었다. 이러한 결과는 고유전 박막의 전기적 특성을 향상시킴으로써 차세대 메모리 유전체 물질 개발에 응용될 수 있을 것으로 기대한다.

• 한국재료학회지
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• 제22권12호
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• pp.682-688
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• 2012

In this study we aimed to examine the co-doping effects of 1/6 mol% $Co_3O_4$ and 1/4 mol% $Cr_2O_3$ (Co:Cr = 1:1) on the reaction, microstructure, and electrical properties, such as the bulk defects and the grain boundary properties, of ZnO-$Bi_2O_3-Sb_2O_3$ (ZBS; Sb/Bi = 0.5, 1.0, and 2.0) varistors. The sintering and electrical properties of Co,Cr-doped ZBS, ZBS(CoCr) varistors were controlled using the Sb/Bi ratio. Pyrochlore ($Zn_2Bi_3Sb_3O_{14}$), ${\alpha}$-spinel ($Zn_7Sb_2O_{12}$), and ${\delta}-Bi_2O_3$ were formed in all systems. Pyrochlore was decomposed and promoted densification at lower temperature on heating in Sb/Bi = 1.0 by Cr rather than Co. A more homogeneous microstructure was obtained in all systems affected by ${\alpha}$-spinel. In ZBS(CoCr), the varistor characteristics were improved (non-linear coefficient, ${\alpha}$ = 20~63), and seemed to form ${Zn_i}^{{\cdot}{\cdot}}$(0.20 eV) and ${V_o}^{\cdot}$(0.33 eV) as dominant defects. From impedance and modulus spectroscopy, the grain boundaries were found to be composed of an electrically single barrier (0.94~1.1 eV) that is, however, somewhat sensitive to ambient oxygen with temperature. The phase development, densification, and microstructure were controlled by Cr rather than by Co but the electrical and grain boundary properties were controlled by Co rather than by Cr.

• 한국세라믹학회지
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• 제52권5호
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• pp.331-337
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• 2015

$LaBO_3$ (B = Cr, Mn, Fe, Co, and Ni) perovskites, the most common perovskite-type mixed ionic-electronic conductors (MIECs), are promising candidates for intermediate-temperature solid oxide fuel cell (IT-SOFC) cathodes. The catalytic activity on MIEC-based cathodes is closely related to the bulk ionic conductivity. Doping B-site cations with other metals may be one way to enhance the ionic conductivity, which would also be sensitively influenced by the chemical composition of the dopants. Here, using density functional theory (DFT) calculations, we quantitatively assess the activation energies of bulk oxide ion diffusion in $LaBO_3$ perovskites with a wide range of combinations of B-site cations by calculating the oxygen vacancy formation and migration energies. Our results show that bulk oxide ion diffusion dominantly depends on oxygen vacancy formation energy rather than on the migration energy. As a result, we suggest that the late transition metal-based perovskites have relatively low oxygen vacancy formation energies, and thereby exhibit low activation energy barriers. Our results will provide useful insight into the design of new cathode materials with better performance.

• 한국재료학회지
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• 제22권12호
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• pp.689-695
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• 2012

We have examined the co-doping effects of 1/2 mol% NiO and 1/4 mol% $Cr_2O_3$ (Ni:Cr = 1:1) on the reaction, microstructure, and electrical properties, such as the bulk defects and the grain boundary properties, of ZnO-$Bi_2O_3-Sb_2O_3$ (ZBS; Sb/Bi = 0.5, 1.0, and 2.0) varistors. The sintering and electrical properties of Ni,Cr-doped ZBS, ZBS(NiCr) varistors were controlled using the Sb/Bi ratio. Pyrochlore ($Zn_2Bi_3Sb_3O_{14}$), ${\alpha}$-spinel ($Zn_7Sb_2O_{12}$), and ${\delta}-Bi_2O_3$ were detected for all of compositions. For the sample with Sb/Bi = 1.0, the Pyrochlore was decomposed and promoted densification at lower temperature by Ni rather than by Cr. A homogeneous microstructure was obtained for all of the samples affected by ${\alpha}$-spinel. The varistor characteristics were not dramatically improved (non-linear coefficient, ${\alpha}$ = 5~24), and seemed to form ${Zn_i}^{{\cdot}{\cdot}}$(0.17 eV) and ${V_o}^{\cdot}$(0.33 eV) as dominant defects. From impedance and modulus spectroscopy, the grain boundaries were found to have been divided into two types, i.e., one is tentatively assigned to ZnO/$Bi_2O_3$ (Ni,Cr)/ZnO (0.98 eV) and the other is assigned to a ZnO/ZnO (~1.5 eV) homojunction.

• 한국재료학회지
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• 제14권9호
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• pp.634-641
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• 2004

The photocatalytic performance of $TiO_2$ thin films coated on porous alumina balls using various aqueous $TiOCl_2$ solutions as starting precursors, to which 1.0 $mol\%$ transition metal ($Ni^{2+},\;Cr^{3+},\;Fe^{3+},\;Nb^{3+},\;and\;V^{5+}$) chlorides had been already added, has been investigated, together with characterizations for $TiO_2$ sols synthesized simultaneously in the same autoclave through hydrothermal method. The synthesized $TiO_2$ sols were all formed with an anatase phase, and their particle size was between several nm and 30 nm showing ${\zeta}-potential$ of $-25{\sim}-35$ mV, being maintained stable for over 6 months. However, the $TiO_2$ sol added with Cr had a much lower value of -potential and larger particle sizes. The coated $TiO_2$ thin films had almost the same shape and size as those of the sol. The pure $TiO_2$ sol showed the highest optical absorption in the ultraviolet light region, and other $TiO_2$ sols containing $Cr^{3+},\;Fe^{3+}\;and\;Ni^{2+}$ showed higher optical absorption than pure sol in the visible light region. According to the experiments for removal of a gas-phase benzene, the pure $TiO_2$ film showed the highest photo dissociation rate in the ultraviolet light region, but in artificial sunlight the photo dissociation rate of $TiO_2$ coated films containing $Cr^{3+},\;Fe^{3+}\;and\;Ni^{2+}$ was measured higher together with the increase of optical absorption by doping.

• Bulletin of the Korean Chemical Society
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• 제32권3호
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• pp.921-926
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• 2011

This study investigates a root cause of the improved rate performance of $LiFePO_4$ after metal doping to Fesites. This is because the metal doped $LiFePO_4$/C maintains its initial capacity at higher C-rates than undoped one. Using $LiFePO_4$/C and doped $LiFe_{0.97}M_{0.03}PO_4$/C (M=$Al^{3+}$, $Cr^{3+}$, $Zr^{4+}$), which are synthesized by a mechanochemical process followed by one-step heat treatment, the Li content before and after chemical delithiation in the $LiFePO_4$/C and the binding energy are compared using atomic absorption spectroscopy (AAS) and X-ray photoelectron spectroscopy (XPS). The results from AAS and XPS indicate that the low Li content of the metal doped $LiFePO_4$/C after chemical delithiation is attributed to the low binding energy induced by weak Li-O interactions. The improved capacity retention of the doped $LiFePO_4$/C at high discharge rates is, therefore, achieved by relatively low binding energy between Li and O ions, which leads to fast Li diffusivity.