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Band Gap Tauc Plot Manuel Shimadzu

This document describes a study that used diffuse reflectance spectroscopy to determine the band gap energies of three compound semiconductor materials (CuGaSe2, CuIn0.5Ga0.5Se2, and CuInSe2). Diffuse reflectance spectra of powder samples were collected using an integrating sphere attachment. The Tauc plot method was used to calculate band gap energies from the absorption edges in the spectra. This involved plotting (hνF(R∞))2 against photon energy (hν) and determining the x-intercept of the tangent line at the inflection point. Band gap energies of 1.64 eV, 1.27 eV, and 0.99 eV were obtained for CuGaSe2, Cu

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770 views2 pages

Band Gap Tauc Plot Manuel Shimadzu

This document describes a study that used diffuse reflectance spectroscopy to determine the band gap energies of three compound semiconductor materials (CuGaSe2, CuIn0.5Ga0.5Se2, and CuInSe2). Diffuse reflectance spectra of powder samples were collected using an integrating sphere attachment. The Tauc plot method was used to calculate band gap energies from the absorption edges in the spectra. This involved plotting (hνF(R∞))2 against photon energy (hν) and determining the x-intercept of the tangent line at the inflection point. Band gap energies of 1.64 eV, 1.27 eV, and 0.99 eV were obtained for CuGaSe2, Cu

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LAAN-A-UV-E023

Spectrophotometric Analysis

No.A428

Measurements of Band Gap in Compound Semiconductors


- Band Gap Determination from Diffuse Reflectance Spectra The determination of band gap in materials is
important to obtain the basic solid state physics. Band
gap indicates the difference in energy between the top
of the valence band filled with electrons and the
bottom of the conduction band devoid of electrons.
The bandgap is related to the electric conductivity of
the materials. There is generally no band gap in
metals, but the band gap value in insulators is known
to be large, and that in semiconductors is typically

intermediate between these two.


Here we introduce band gap determination from Tauc
plots obtained from diffuse reflectance spectra of
samples consisting of compound semiconductor
materials, which in this case were provided by the
Wada Laboratory, Faculty of Science and Technology,
Ryukoku University. The experiments were also
conducted with the cooperation of the Wada
Laboratory, Ryukoku University .

n Samples, Instrument and Attachment Used for Measurement

Three kinds of powder samples (CuInSe2, CuIn0.5Ga 0.5


Se2, and CuGaSe2), which consisted of copper (Cu),
indium (In), selenium (Se) and gallium (Ga) were used
as the samples. These compounds are currently
receiving attention as compound semiconductors in
solar battery. The samples were prepared for
measurement by piling a small amount on a layer of
barium sulfate powder, after which the sample powder
was spread into a thin uniform layer using a glass rod.
The sample preparation and final sample state as
prepared for measurement are shown in Fig. 1 and
Fig. 2.
The ISR-3100 integrating sphere attachment was
mounted in the UV-3600 UV-VIS-NIR spectrophotometer
as shown in Fig. 3, and diffuse reflectance spectra of
the prepared samples were recorded. Barium sulfate
was used as a standard. The obtained UV-VIS-NIR
spectra are shown in Fig. 4, and the measurement
conditions are shown in Table 1. It is clear that there
are differences in the position of the absorption edge
(position at which reflectance decreases). This
difference indicates the difference of the band gap
between samples.

Sample

Light

Fig. 3 Sample Set in ISR-3100 Integrating Sphere


Table 1 Analytical Conditions
Measurement Wavelength Range
Scan Speed
Sampling Pitch
Photometric Value
Slit Width
Grating Switching Wavelength
Detector Switching Wavelength

: 600 nm to 1800 nm
: Medium
: 1.0 nm
: Reflectance
: (20) nm
: 720 nm
: 830 nm

R%

Fig. 1 Sample Placed on BaSO4 Powder

Fig. 2 Sample Spread on BaSO4 Powder

Fig. 4 Diffuse Reflectance Spectra


(Red: CuGaSe2, Blue: CuIn0.5Ga0.5Se2, Black: CuInSe2)

No.A428
n Calculation of Band Gap Using Tauc Plot

300
(hF (R))2

The Tauc plot is a method that is widely used for the


determination of band gap. Shown next is the
procedure for determining the band gap from a diffuse
reflectance spectrum using the Tauc plot.

250
200
150
100
50

Eg = 1.638 eV
0
0.7 0.8 0.9 1 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 1.9 2

n Process for Obtaining Band Gap Using Tauc Plot

Note: The point of inflection is found by taking the first derivative of the curve. The point at
which the value of the first derivative coefficient begins to decrease after increasing is
the point of inflection.

The curve that plots the value of (h - (hF(R)) ) and


the respective tangent, based on the procedures of
steps (3) and (4), are shown for each sample in Fig. 5
to Fig. 7. The value associated with the point of
intersection of the line tangent to the plotted curve
inflection point with the horizontal axis (h axis)
becomes the band gap Eg value. The Eg values
obtained using Shimadzu's UVProbe software with
commercially available spreadsheet software are
shown in Table 2. The band gap values are shown
using the typical eV unit, but these values are also
presented in nm in parentheses for comparison with
the actual data of the diffuse reflectance spectra. It is
clear that the values presented in nm correspond well
with the absorption edge wavelengths of the diffuse
reflectance spectra in Fig. 4.
In this measurement, the band gap was determined
for three types of compound semiconductor materials
(CuInSe2, CuIn0.5Ga0.5Se2, CuGaSe2). These are often
used as the functional material in solar batteries
based on the compound semiconductors , however,
as demonstrated here, these 3 types possess different
band gap values. Application of the Tauc relational
expression, as shown in this example, allows
determination of the band gap in powder samples
using the diffuse reflectance spectrum.
2

Acknowledgment
We wish to express our deep gratitude for the considerable support
and cooperation and for the guidance and samples provided by Dr.
Takahiro Wada and Dr. Seiji Yamazoe of the Dept.of Materials
Chemistry, Faculty of Science and Technology, Ryukoku University.

SHIMADZU CORPORATION. International Marketing Division

h(eV)

Fig. 5 h - (hF(R))2 Curve of CuGaSe2

(h F (R))2

300
250
200
150
100

Eg = 1.269 eV

50

0
0.7 0.8 0.9 1 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 1.9 2
h (eV)

Fig. 6 h - (hF(R)) Curve of CuIn0.5Ga0.5Se2


2

300
(hF (R))2

(1) The following relational expression proposed by Tauc, Davis, and Mott is
used.
(h)1/n = A(h - Eg) (1)
Where:
h: Planck's constant, : frequency of vibration, : absorption coefficient,
Eg: band gap, A: proportional constant
The value of the exponent n denotes the nature of the sample transition.
For direct allowed transition n = 1/2
For direct forbidden transition n = 3/2
For indirect allowed transition n = 2
For indirect forbidden transition n = 3
Since the direct allowed sample transition is used in this experiment, n =
1/2 is used for these samples.
(2) The acquired diffuse reflectance spectrum is converted to Kubelka-Munk
function. Thus, the vertical axis is converted to quantity F(R), which is
proportional to the absorption coefficient. The in the Tauc equation is
substituted with F(R). Thus, in the actual experiment, the relational
expression becomes:
(hF(R))2 = A(h - Eg) (2)
(3) Using the Kubelka-Munk function, the (hF(R))2 was plotted against the
h. The curve that plots the value of (h - (hF(R))2) on the horizontal
axis h and vertical axis (hF(R))2 is drawn.
Here, the unit for h is eV (electron volts), and its relationship to the
wavelength (nm) becomes h = 1239.7/.
(4) A line is drawn tangent to the point of inflection on the curve of step (3),
and the h value at the point of intersection of the tangent line and the
horizontal axis is the band gap Eg value.

250
200
150
100
50

Eg = 0.989 eV
0
0.7 0.8 0.9 1 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 1.9 2
h(eV)
Fig. 7 h - (hF(R))2 Curve of CuInSe2

Table 2 Band Gap Eg of CuGaSe2, CuIn0.5Ga0.5Se2 and CuInSe2


Sample Name

Band Gap Eg

CuGaSe2

1.64 eV ( 757 nm)

CuInSe2

0.99 eV ( 1253 nm)

CuIn0.5Ga0.5Se2

1.27 eV ( 977 nm)

References:
1) J. Tauc, R. Grigorovici, and A. Vancu, Phys. Status Solidi, 15 627
(1966).
2) J. Tauc (F. Abeles ed.), Optical Properties of Solids, North-Holland
(1972).
3) E. A. Davis and N. F. Mott, Philos. Mag., 22 903 (1970).

3. Kanda-Nishikicho 1-chome, Chiyoda-ku, Tokyo 101-8448, Japan Phone: 81(3)3219-5641 Fax. 81(3)3219-5710

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