• 제목/요약/키워드: Spin-orbit energy

검색결과 88건 처리시간 0.022초

Gd 도핑된 비스무스 텔루라이드의 자기적 성질에 대한 제일원리 계산 연구 (First-principles Study on the Magnetic Properties of Gd doped Bithmuth-Telluride)

  • ;김미영
    • 한국자기학회지
    • /
    • 제26권2호
    • /
    • pp.39-44
    • /
    • 2016
  • 대표적 열전물질인 비스무스 텔루라이드에 자성원자를 도핑한 합금에 대한 구조 및 전자적 그리고 자기적 성질에 관한 연구는 고효율 열전물질의 개발이라는 목적뿐만 아니라 특이한 자기적 상호작용 규명 및 위상절연체 분야에서도 큰 관심을 끌고 있다. 본 연구에서는 희토류 원자로서 매우 국소화된 f 전자를 갖는 Gd이 Bi을 치환하여 도핑된 비스무스 텔루라이드 합금의 자성 안정성을 밀도범함수(Density Functional Theory)에 입각하여 제일원리적으로 연구하기 위하여 모든 전자(all-electron) FLAPW(full-potential linearized augmented plane-wave) 방법을 이용하여 전자구조 계산을 수행하였다. 전자간 교환-상관 상호작용은 일반기울기 근사법(Generalized Gradient Approximation)을 도입하여 계산하였으며, 국소화된 f 전자를 기술하는 데 필요한 Hubbard+U 보정과 스핀-궤도 각운동량 상호작용은 제2 변분법적 방법을 이용하여 고려하였다. 계산 결과, 강자성 안정성을 보이는 Gd 덩치계와 다르게 이 합금은 강자성과 반강자성의 총에너지 차이가 ~1 meV/Gd 정도의 아주 작은 값으로 얻어져서, 그 자성 안정성은 결함이나 strain 등에 의한 구조변화에 민감하게 의존하여 변할 수 있음을 알 수 있었다. 특히 Gd 스핀자기모멘트는 덩치에서의 값에 비해 감소하였고, Gd에 가장 가까운 Te에 유도 자기모멘트가 형성되는 것으로 미루어 Te를 매개로 한 자성상호작용이 자성 안정성을 결정하는 데에 중요한 역할을 하는 것으로 예측할 수 있었다.

Hot Wall Epitaxy(HWE)법에 의한 $AgInS_2$단결성 박막의 성장과 가전자대 갈라짐에대한 광전류 연구 (Photocurrent Study on the Splitting of the Valence Band and Growth of $AgInS_2$GaAs Single Crystal Thin Film by Hot Wall Epitaxy)

  • 홍광준
    • 한국결정학회지
    • /
    • 제12권4호
    • /
    • pp.197-206
    • /
    • 2001
  • 수평 전기로에서 AgInS₂ 다결정을 합성하여 HWE(Hot Wall Epitaxy)방법으로 AgInS₂ 단결정 박막을 반절연성 GaAs(100)기판에 성장시켰다. AgInS₂ 단결정 박막의 성장 조건은 증발원의 온도 680℃, 기판의 온도 410℃였고 성장 속도는 0.5㎛/hr였다. AgInS₂ 단결정 박막의 결정성의 조사에서 10 K에서 광발광(photoluminescence)스펙트럼이 597.8 nm(2.0741 eV)에서 exciton emission스펙트럼이 가장 강하게 나타났으며, 또한 이중결정 X-선 요동곡선(DCRC)의 박폭치(FWHM)도 121 arcsec로 가장 작아 최적 성장 조건임을 알수 있었다. Hall 효과는 van der Pauw 방법에 의해 측정되었으며, 온도에 의존하는 운반자 농도와 이동도는 293K에서 각각 9.35×10/sup 16/㎤, 294㎠/V·s 였다. AgInS₂ /SI(SEmi-Insulated) GaAs(100) 단결정 박막의 광흡수와 광전류 spectra를 293K에서 10K까지 측정하였다. 광흡수 스펙트럼으로부터 band gap E/sub g/(T)는 Varshni 공식에 따라 계산한 결과 2.1365eV-(9.89×10/sup-3/eV/K/)T²(T+2930K)이었으며 광전류 스펙트럼으로부터 Hamiltopn matrix(Hopfield quasicubic mode)법으로 계산한 결과 crystal field splitting Δcr값이 0.1541eV이며 spin-orbit Δso 값은 0.0129eV임을 확인하였다. 10K일때 광전류 봉우리들은 n=1 일때 A₁-, B-₁와 C₁-exction 봉우림을 알았다.

  • PDF

Hot Wall Epitaxy(HWE)법에 의한 CuAlSe2 단결정 박막의 성장과 가전자대 갈라짐에 대한 광전류 연구 (Photocurrent Study on the Splitting of the Valence Band and Growth of CuAlSe2 Single Crystal Thin Film by Hot Wall Epitaxy)

  • 박창선;홍광준;박진성;이봉주;정준우;방진주;김현
    • 센서학회지
    • /
    • 제13권2호
    • /
    • pp.157-167
    • /
    • 2004
  • A stoichiometric mixture of evaporating materials for $CuAlSe_{2}$ single crystal thin films was prepared from horizontal electric furnace. To obtain the single crystal thin films, $CuAlSe_{2}$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the hot wall epitaxy (HWE) system. The source and substrate temperatures were $680^{\circ}C$ and $410^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $CuAlSe_{2}$ single crystal thin films measured with Hall effect by van der Pauw method are $9.24{\times}10^{16}cm^{-3}$ and $295cm^{2}/V{\codt}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the $CuAlSe_{2}$ obtained from the absorption spectra was well described by the Varshni's relation, $E_{g}(T)$ = 2.8382 eV - ($8.68{\circ}10^{-4}$ eV/K)$T^{2}$/(T + 155 K). The crystal field and the spin-orbit splitting energies for the valence band of the $CuAlSe_{2}$ have been estimated to be 0.2026 eV and 0.2165 eV at 10 K, respectively, by means of the photocurrent spectra and the Hopfield quasicubic model. These results indicate that the splitting of the ${\Delta}so$ definitely exists in the ${\Gamma}_{5}$ states of the valence band of the $CuAlSe_{2}$. The three photocurrent peaks observed at 10 K are ascribed to the $A_{1-}$, $B_{1-}$, and $C_{1-}$ exciton peaks for n = 1.

$Zn_2AgGaSe_4$$Zn_2AgGaSe_4$ : $Co^{2+}$ 결정의 광학적 특성 (Optical properties of $Zn_2AgGaSe_4$ and $Zn_2AgGaSe_4$ : $Co^{2+}$ crystals)

  • 김형곤;김병철
    • 대한전기학회:학술대회논문집
    • /
    • 대한전기학회 1999년도 추계학술대회 논문집 전문대학교육위원 P
    • /
    • pp.10-12
    • /
    • 1999
  • Optical properties of $Zn_2AgGaSe_4$ and $Zn_2AgGaSe_4$:$Co^{2+}$ crystals are investigated in the visible and near-infrared regions at 298K. The direct band gap at 298K is 1.630eV for the $Zn_2AgGaSe_4$ and 1.567eV for the $Zn_2AgGaSe_4$:$Co^{2+}$ crystals, respectively. In the optical absorption and PAS spectrum of the $Zn_2AgGaSe_4$:$Co^{2+}$, we observed five impurity absorption peaks at $4220cm^{-1}$, $5952cm^{-1}$, $12422cm^{-1}$, $12987cm^{-1}$ and $14184cm^{-1}$. These impurity absorption peaks are attributed to the electronic transitions between the split energy levels of $Co^{2+}$ ions with Td symmetry of $Zn_2AgGaSe_4$ host lattice. The crystal field parameter Dq, the Racah parameter B and the spin-orbit coupling parameter $\lambda$ are given by $442cm^{-1}$, $425cm^{-1}$ and $440cm^{-1}$, respectively.

  • PDF

Temperature dependences of the band-gap energy and the PC intensity for $CuInSe_2$ thin films

  • You, Sang-Ha;Hong, Kwang-Joon
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2008년도 추계학술대회 논문집 Vol.21
    • /
    • pp.139-140
    • /
    • 2008
  • In this study, the photocurrent (PC) spectroscopy of undoped p-type CIS layers has been investigated at temperatures ranging from 10 to 293 K. Three peaks, A, B, and C, corresponded to the intrinsic transition from the valence band states off $\Gamma_7$(A), $\Gamma_6$(B), and $\Gamma_7$(C) to the conduction band state $\Gamma_6$, respectively. The crystal field splitting and the spin orbit splitting were found at 0.0059 and 0.2301 eV, respectively, and the temperature dependence of the optical band gap could be expressed by using the empirical equation $E_g$(T) = $E_g$(0) - $(8.57\times10^{-4)T^2$/(T + 129). But the behavior of the PC was different from that generally observed in other semiconductors: the PC intensities decreased with decreasing temperature. From the relation of log $J_{ph}$ vs 1/T, where $J_{ph}$ is the PC density, the dominant level was observed at the higher temperatures. We suggest that in undoped p-type CIS layers, the trapping center limits the PC signal due to native defects and impurities with decreasing temperature.

  • PDF

Hot Wall Epitaxy(HWE) 방법에 의해 성장된 $CuInS_2$ (Growth and Characterization of $CuInS_2$ Single Crystal Thin Film by Hot Wall Epitaxy)

  • 최승평;홍광준
    • 한국결정학회지
    • /
    • 제11권3호
    • /
    • pp.137-146
    • /
    • 2000
  • The stoichiometric mix of evaporating materials for he CuInS₂ single crystal thin films was prepared. To obtain the single crystal thin films, CuINS₂ mixed crystal was deposited on etched semi-insulator GaAs(100) substrate by the hot wall epitaxy(HWE) system. The source and substrate temperature were 640℃ and 430℃, respectively and the thickness of the single crystal thin films was 2 ㎛. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction(DCXD). The carrier density and mobility deduced from Hall data are 9.64x10/sup 22//㎥ and 2.95x10/sup -2/ ㎡/V·s, respectively at 293 K. he optical energy gap was found to be 1.53 eV at room temperature. From the photocurrent spectrum obtained by illuminating perpendicular light on the c-axis of the thin film, we have found that the values of spin orbit coupling splitting ΔSo and the crystal field splitting ΔCr were 0.0211 eV and 0.0045 eV at 10K, respectively. From PL peaks measured at 10K, were can assign the 807.7 nm (1.5350 eV) peak to E/sub x/ peak of the free exciton emission, the 810.3 nm(1.5301 eV) peak to I₂ peak of donar-bound exciton emission and the 815.6 nm(1.5201 eV) peak to I₁ peak of acceptor-bound excition emission. In addition, the peak observed at 862.0 nm(1.4383 eV) was analyzed to be PL peak due to donor-acceptor pair(DAP).

  • PDF

Hot Wall Epitaxy (HWE)에 의한$ZnGa_{2}Se_{4}$단결정 박막 성장과 광전기적 특성 (Growth and Optoelectric Characterization of $ZnGa_{2}Se_{4}$ Sing1e Crystal Thin Films)

  • 박창선;홍광준
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2001년도 추계학술대회 논문집
    • /
    • pp.163-166
    • /
    • 2001
  • The stochiometric mix of evaporating materials for the ZnGa$_2$Se$_4$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films, ZnGa$_2$Se$_4$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were 61$0^{\circ}C$ and 45$0^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of ZnGa$_2$Se$_4$ single crystal thin films measured from Hall effect by van der Pauw method are 9.63x10$^{17}$ cm$^{-3}$ , 296 $\textrm{cm}^2$/V.s at 293 K, respectively, From the photocurrent spectrum by illumination of perpendicular light on the c-axis of the ZnGa$_2$Se$_4$ single crystal thin film, we have found that the values of spin orbit splitting $\Delta$So and the crystal field splitting $\Delta$Cr were 251.9 MeV and 183.2 meV at 10 K, respectively. From the photoluminescence measurement on ZnGa$_2$Se$_4$ single crystal thin film, we observed free excition (E$_{x}$) existing only high quality crystal and neutral bound excition (A$^{0}$ ,X) having very strong peak intensity. Then, the full-width-at-half-maximum(FWHM) and binding energy of neutral acceptor bound excition were 11 meV and 24.4 meV, respectivity. By Haynes rule, an activation energy of impurity was 122 meV.on energy of impurity was 122 meV.

  • PDF

Hot Wall Epitaxy(HWE) 법에 의해 성장된 $AgGaSe_2$ 단결정 박막의 광전류 온도 의존성 (Temperature dependence of photocurrent spectra for $AgGaSe_2$ single crystal thin film grown by hot wall epitaxy)

  • 홍광준;방진주
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2007년도 하계학술대회 논문집 Vol.8
    • /
    • pp.179-180
    • /
    • 2007
  • Single crystal $AgGaSe_2$ layers were grown on thoroughly etched semi-insulating GaAs(100) substrate at $420^{\circ}C$ with hot wall epitaxy (HWE) system by evaporating $AgGaSe_2$ source at $630^{\circ}C$. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of single crystal $AgGaSe_2$ thin films measured with Hall effect by van der Pauw method are $4.05{\times}\;10^{16}/cm^3$, $139\;cm^2/V{\cdot}s$ at 293 K. respectively. The temperature dependence of the energy band gap of the $AgGaSe_2$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)=1.9501\;eV\;-\;(8.79{\times}10^{-4}\;eV/K)T^2$/(T + 250 K). The crystal field and the spin-orbit splitting energies for the valence band of the $AgGaSe_2$ have been estimated to be 0.3132 eV and 0.3725 eV at 10 K, respectively, by means of the phcitocurrent spectra and the Hopfield quasicubic model. These results indicate that the splitting of the ${\Delta}So$ definitely exists in the $\Gamma_5$ states of the valence band of the $AgGaSe_2$. The three photocurrent peaks observed at 10 K are ascribed to the $A_1$-, $B_1$-, and $C_1$-exciton peaks for n = 1.

  • PDF

Hot wall epitaxy 방법에 의한 $AgInS_{2}$ 박막의 성장과 광전류특성 (Growth and photocurrent properties for the $AgInS_{2}$ epilayers by hot wall ep itaxy)

  • 홍광준
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2002년도 제4회 영호남학술대회 논문집
    • /
    • pp.92-96
    • /
    • 2002
  • Hot wall epitaxy 방법을 이용하여 chalcopyrite 구조를 가진 고품질의 $AgInS_{2}$ 박막을 성장 하였다. 광전류 스펙트럼을 측정한 결과, 30K에서 300K까지는 단지 A 와 B 두개의 봉우리가 관측되었고 반면에 10K에서는 A,B,C 세 개의 봉우리가 관측되었다. 이때 이들 봉우리들은 band-to-band 전이에 기인하는 것으로 관측되었다. 광전류 측정으로부터 $AgInS_{2}$의 가전자대 갈라짐이 측정되었고 이로부터 10k에서 결정장에 의한 갈라짐 $D_{cr}$과 스핀궤도에 의한 갈라짐 $D_{so}$은 각각 0.150eV와 0.009eV로 관측되었다. 또한 에너지 밴드갭의 온도 의존성 $E_{g}(T)$에 대하여 연구하였고 성장된 $AgInS_{2}$ 박막의 에너지 밴드갭은 1.868eV 임을 알았다.

  • PDF

Hot wall epitaxy방법에 의한 AgInS2 박막의 성장과 광전류 특성 (Growth and Photocurrent Properties for the AgInS2 Epilayers by Hot Wall Epitaxy)

  • 김혜숙;홍광준;정준우;방진주;김소형;정태수;박진성
    • 한국재료학회지
    • /
    • 제12권7호
    • /
    • pp.587-590
    • /
    • 2002
  • A silver indium sulfide ($AgInS_2$) epilayer was grown by the hot wall epitaxy method, which has not been reported in the literature. The grown $AgInS_2$ epilayer has found to be a chalcopyrite structure and evaluated to be high quality crystal. From the photocurrent measurement in the temperature range from 30 K to 300 K, the two peaks of A and B were only observed, whereas the three peaks of A, B, and C were seen in the PC spectrum of 10 K. These peaks are ascribed to the band-to-band transition. The valence band splitting of $AgInS_2$ was investigated by means of the photocurrent measurement. The crystal field splitting, $\Delta_{cr}$ , and the spin orbit splitting, $\Delta_{so}$ , have been obtained to be 0.150 eV and 0.009 eV at 10 K, respectively. And, the energy band gap at room temperature has been determined to be 1.868 eV. Also, the temperature dependence of the energy band gap, $E_{g}$(T), was determined.d.