双语化学辞典Chem Lexicon
本科Undergraduate 半导体、晶体学与材料表征 Semiconductors, crystallography & materials characterisation

带隙与吸收边波长Band gap and absorption-edge wavelength

\[\lambda_\text{边} = \frac{hc}{E_g} \approx \frac{1240\ \mathrm{nm\cdot eV}}{E_g}\]\[\lambda_\text{edge} = \frac{hc}{E_g} \approx \frac{1240\ \mathrm{nm\cdot eV}}{E_g}\]
陶克(Tauc)作图求带隙Tauc plot for the band gap
\[(\alpha h\nu)^{1/n} = A(h\nu - E_g),\quad n = \tfrac12\ (\text{直接允许}),\ n = 2\ (\text{间接允许})\]\[(\alpha h\nu)^{1/n} = A(h\nu - E_g),\quad n = \tfrac12\ (\text{direct allowed}),\ n = 2\ (\text{indirect allowed})\]

含义Meaning

光子能量大于带隙才能把电子从价带激发到导带。由此可从吸收边或发光峰估算带隙,并解释半导体的颜色与光伏响应范围。

Photons need energy above the band gap to promote electrons from valence to conduction band; the absorption edge or emission peak therefore gives E_g and explains a semiconductor’s colour and photovoltaic range.

符号说明Symbols

符号Symbol含义 Meaning单位 Unit
\(E_g\)带隙band gapeV
\(\alpha\)吸收系数absorption coefficientcm⁻¹
\(h\nu\)光子能量photon energyeV

推导Derivation

  1. \(E = h\nu = hc/\lambda\),代入 \(hc = 1239.84\ \mathrm{eV\,nm}\)。

    \(E = hc/\lambda\) with hc = 1239.84 eV nm.

  2. 吸收边附近,直接带隙材料 \(\alpha \propto (h\nu - E_g)^{1/2}/h\nu\),间接带隙 \(\alpha \propto (h\nu - E_g)^2/h\nu\)(需声子参与)。

    Near the edge α ∝ (hν−E_g)^{1/2} (direct) or (hν−E_g)² (indirect, phonon-assisted).

  3. 以 \((\alpha h\nu)^{1/n}\) 对 hν 作图,直线段外推到零即得 E_g。

    Extrapolate the linear part of the Tauc plot to zero.

适用条件与局限Assumptions & limitations

  • 激子吸收、缺陷态(乌尔巴赫带尾)、量子尺寸效应会使吸收边偏移或变缓。

    Excitons, defect tails (Urbach) and quantum confinement shift or smear the edge.

例题Worked example

Si 1.12 eV → 1107 nm;GaAs 1.42 eV → 873 nm;TiO₂(锐钛矿)3.2 eV → 388 nm(只吸收紫外,故为白色)。

Si 1.12 eV → 1107 nm; GaAs 1.42 eV → 873 nm; anatase TiO₂ 3.2 eV → 388 nm (white).