• Title/Summary/Keyword: Ca/Si(111)-$2{\times}1$

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Ca/Si(111)-2×1에서 에피성장을 통한 Si단결정 성장가능성에 관한 Si원자의 흡착과 확산에 대한 전산모사연구

  • Yeo, Gang-Mo;Jeong, Seok-Min
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.127.1-127.1
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    • 2016
  • Si은 값싸고 넓은 시설기반을 갖추고 있어, 발전산업에서 태양광소자의 주원료로 널리 사용된다. 하지만 Si은 간접 띠틈을 Si의 특성을 개선하기 위해 최근 Si에 특정한 결함을 넣어 직접 띠틈으로 바꿔 광효율을 높이려는 시도가 있다. 2015년 초 Si단결정[111]으로 Seiwatz-chain 형태의 결함이 있다면 결함이 있는 Si(111)에 직접 띠틈이 생길 것 이라고 이론적으로 예상했다. 이러한 구조의 제작방법으로 Ca/Si(111)과 Si(111)을 접합 후 가열하여 Ca을 빼내는 방법을 제시했다[1]. 본 연구에서는 이 제작방법 외에 Ca/Si(111)-$2{\times}1$ 표면에서[2] 에피성장으로 결함이 유지된 Si단결정 형성가능성을 제일원리 계산을 통해 연구했다. 제일원리 계산방법으로는 VASP(Vienna Ab-initio Simulation Package)를 이용하였다. Si원자 한개, 두 개, 세 개가 흡착될 경우 원자당 흡착에너지는 각각 3.73 eV, 3.73 eV, 3.91 eV 였다. 따라서 Si원자는 무리형태로 흡착될 것으로 예상되어 결함을 유지하며 단결정으로 성장하기는 어려울 것으로 보인다.

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Behavior of $CaF_2$ at the Initial Adsorption Stage on Si(114)

  • Dugerjav, Otgonbayar;Duvjir, Ganbat;Li, Huiting;Kim, Hui-Dong;Seo, Jae-Myeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.242-242
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    • 2012
  • From the combined studies of STM and synchrotron photoemission, it has been found that a $CaF_2$ molecule is dissociated to Ca and F atoms on the $Si(114)-2{\times}1$ held at $500^{\circ}C$ at the initial adsorption stage. The Ca atoms form isolated and unique shapes of silicide molecules as shown in Fig. (a), while the F atoms are desorbed from the surface. On the other hand, beyond a $CaF_2$ coverage of 0.3 monolayer, as shown in Fig. (b), in addition to these silicide molecules, a 1-D facet [composed of (113) and (115) faces] adjacent to an etch pit has been observed, and F atoms are also detected from photoemission. These results imply that F atoms act as an etchant on Si(114) and CaF is adsorbed selectively on the (113) face of this facet. From the present studies, it has been concluded that, an insulating $CaF_2$ layer like that on Si(111) cannot be formed on Si(114), but a CaF-decorated nanofacet with a high aspect-ratio can be grown.

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Characteristics of fluoride/glass as a seed layer for microcrystalline silicon film growth

  • Choi, Seok-Won;Kim, Do-Young;Ahn, Byeong-Jae;Yi, Jun-Sin
    • 한국정보디스플레이학회:학술대회논문집
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    • 2000.01a
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    • pp.65-66
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    • 2000
  • Various fluoride films on a glass substrate were prepared and characterized to provide a seed layer for crystalline Si film growth. The XRD analysis on $CaF_2/glass$ illustrated (220) preferential orientation and showed lattice mismatch less than 5 % with Si. We achieved a fluoride film with breakdown electric field of 1.27 MV/cm, leakage current density about $10^{-6}$ $A/cm^2$, and relative dielectric constant less than 5.6. This paper demonstrates microcrystalline silicon $({\mu}c-Si)$ film growth by using a $CaF_2/glass$ substrate. The ${\mu}c-Si$ films exhibited crystallization in (111) and (220) planes, grain size of $700\;{\AA}$, crystalline volume fraction over 65 %, dark- and photo-conductivity ratio of 124, activation energy of 0.49 eV, and dark conductivity less than $4{\times}10^{-7}$ S/cm.

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Two Anhydrous Zeolite X Crystal Structures, $Ca_{18}Tl_{56}Si_{100}Al_{92}O_{384}\;and\;Ca_{32}Tl_{28}Si_{100}Al_{92}O_{384}$ (제올라이트 X의 두 개의 무수물 $Ca_{18}Tl_{56}Si_{100}Al_{92}O_{384}$$Ca_{32}Tl_{28}Si_{100}Al_{92}O_{384}$의 결정구조)

  • Choi, Eun Young;Kim, Yang
    • Journal of the Korean Chemical Society
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    • v.43 no.4
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    • pp.384-385
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    • 1999
  • Two anhydrous crystal structures of fully dehydrated, $Ca^{2+}$- and $Tl^+$-exchanged zeolite X, TEX>$Ca_{18}Tl_{56}Si_{100}Al_{92}O_{384}($Ca_{18}Tl_{56}$-X;\alpha=24.883(4)\AA)$ and TEX>$Ca_{32}Tl_{28}Si_{100}Al_{92}O_{384}($Ca_{32}Tl_{28}$-X;\alpha=24.973(4)\AA)$ per unit cell, have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at $21(1)^{\circ}C.$ $Ca_{18}Tl_{56}-X$ was prepared by ion exchange in a flowing stream of 0.045 M aqueous $Ca(NO_3)_2$ and 0.005 M $TlNO_3$. $Ca_{32}Tl_{28}-X$ was prepared similarly using a mixed solution of 0.0495 M $Ca(NO_3)_2$ and 0.0005M $TlNO_3$. Each crystal was then dehydrated at 360 $^{\circ}C$ and $2{\times}10^{-6}$ Torr for 2 days. Their structures were refined to the final error indices, $R_1=0.039\;and\;R_2=0.036$ with 382 reflections for $Ca_{18}Tl_{56}-X$ , and $R_1=0.046\;and\;R_2=0.045$ with 472 reflections for $Ca_{32}Tl_{28}$-X for which $/>3\sigma(I).$ In the structures of dehydrated $Ca_{18}Tl_{56^-}X\;and\;Ca_{32}Tl_{28}$-X, $Ca^{2+}\;and\;Tl^+$ ions are located at six crystallographic sites. Sixteen $Ca^{2+}$ ions fill the octahedral sites I at the centers of double six rings ($Ca_{18}Tl_{56}$-X:Ca-O=2.42(1) and O-Ca-O=93.06(4)$^{\circ}$; $Ca_{32}Tl_{28}$-X Ca-O=2.40(1) $\AA$ and O-Ca-O=93.08(3)$^{\circ}$). In the structure of $Ca_{18}Tl_{56}$-X, another two $Ca^{2+}$ ions occupy site II (Ca-O=2.35(2) $\AA$ and O-Ca-O=111.69(2)$^{\circ}$) and twenty six $Tl^+$ ions occupy site II opposite single six-rings in the supercage; each is 1.493 $\AA$ from the plane of three oxygens $(Tl-O=2.70(8)\AA$ and O-Tl-O=92.33(4)$^{\circ}$). About four $Tl^+$ ions are found at site II',1.695 $\AA$ into sodalite cavity from their three oxygen plane (Tl-O=2.81 (1) and O-Tl-O=87.48(3)). The remaining twenty six $Tl^+$ ions are distributed over site III'(Tl-O=2.82 (1) $\AA$ and Tl-O=2.88(3)$^{\circ}$). In the structure of $Ca_{32}Tl_{28}$-X, sixteen $Ca^{2+}$ ions and fifteen $Tl^+$ ions occupy site III' (Ca-O=2.26(1) $\AA$ and O-Ca-O=119.14(4)$^{\circ}$; Tl-O=2.70(1) $\AA$ and O-Tl-O=92.38$^{\circ}$) and one $Tl^+$ ion occupies site II'. The remaining twelve $Tl^+$ ions are distributed over site III'. It appears that $Ca^{2+}$ ions prefer sites I and II in that order and $Tl^+$ ions occupy the remaining sites.

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A Study on the Ouabain-induced Transient Inward Current(TI) in the Rabbit Sinoatrial Node (동방결절에서 Ouabain에 의하여 발생하는 일과성 내향전류(TI)에 관한 연구)

  • Choi, Jung-Yun;Hong, Chang-Yee;Earm, Yung-E
    • The Korean Journal of Physiology
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    • v.19 no.2
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    • pp.101-111
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    • 1985
  • Transient inward current (TI) was studied by the two micro-electrode voltage clamp technique in the sinoatrial node of the rabbit. The author confirmed that in $10^{-6}$ M ouabain TI was found in the SA node and investigated the effects of ions, $(Na^+,\;K^+,\;Ca^{2+})$, $\beta-agonist$ (isoprenaline), local anesthetics (quinidine, lidocaine) and Ca-blockers ($Co^{2+}$, verapamil, diltiazem) on the TI recorded during depolarizing voltage clamp pulses to -40 and -20 mV. The results obtained were as follows ; 1) $10^{-6}M$ ouabain increased the frequency of sinus action potential and decreased the amplitude, especially overshoot of action potential. TI was induced by the depolarizing voltage clamp Pulses and the magnitude of the slow inward current (isi) decreased and the time course was slowed by the same depolarizing pulses. 2) 30% $Na^{+}$ and 24mM $K^+$ decreased by $10^{-6}M$ ouabain and 6 mM $Ca^{2+}$ and $10^{-7}M$ isoprenaline increased TI, $i_{si}$ and current oscillations. 3) Quinidine $(5\times10^{-7}M)$ reduced TI and $i_{si}$ but lidocaine $(10^6\;-10^5M)$ didn't reduced or increase TI. Current oscillations increased and isi decreased by lidocaine. 4) Ca-blockers decreased the amplitude and the frequency of sinus action potential. TI and $i_{si}$ decreased significantly but were not abolished completely at the concentrations used in this experiment. Verapamil and diltiazem had inhibitory action on TI in $2\times10^{-7}M$ concentration and showed very slow recovery after wasting out with normal Tyrode solution.

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Crystal Structure of a Methanol Sorption Complex of Dehydrated Partially Cobalt(Ⅱ)-Exchanged Zeolite A (부분적으로 Co(Ⅱ) 이온으로 치환한 제올라이트 A를 탈수한 후 메탄올을 흡착한 결정구조)

  • Jang, Se Bok;Han, Yeong Uk;Kim, Yang
    • Journal of the Korean Chemical Society
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    • v.38 no.5
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    • pp.339-344
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    • 1994
  • The crystal structure of a methanol sorption complex of dehydrated partially Co(II)-exchanged zeolite A, $Co_4Na_4-A{\cdot}6.5CH_3OH$ (a = 12.169(1) $\AA)$, has been determined by single-crystal X-ray diffraction techniques in the cubic space group Pm$\bar3$m at $21(1)^{\circ}C. $Co_4Na_4$-A was dehydrated at $360^{\circ}C\;and\;2{\times}10^{-6}$ torr for 2 days, followed by exposure to about 104 torr of methanol vapor at $22(1)^{\circ}C$ for 1 hr. The structure was refined to final error indices, $R_1$ = 0.061 and $R_2$ = 0.060 with 147 reflections, for which I > $3\sigma(I).$ In this structure, four $Co^{2+}$ ions and 1.5 $Na^+$ ions per unit cell lie at 6-ring positions: the $Na^+$ ions are recessed 0.44 $\AA$ into the sodalite unit and the Co(II) ions extend ca. 0.55 $\AA$ into the large cavity. 2.5 $Na^+$ ions lie in an 8-oxygen ring plane. The 6.5 methanol molecules are sorbed per unit cell. The 6.5 methanol oxygens, all in the large cavity, associate with the 4 $Co^{2+}$ ions and 2.5 $Na^+$ ions.

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