Optical properties and electronic band structure of AgGaTe<sub>2</sub> chalcopyrite semiconductor

Shinya Arai; Shunji Ozaki; Sadao Adachi

doi:10.1364/AO.49.000829

Applied Optics
Vol. 49,
Issue 5,
pp. 829-837
(2010)
•https://doi.org/10.1364/AO.49.000829

Optical properties and electronic band structure of $Ag Ga {Te}_{2}$ chalcopyrite semiconductor

Shinya Arai, Shunji Ozaki, and Sadao Adachi

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Shinya Arai, Shunji Ozaki, and Sadao Adachi, "Optical properties and electronic band structure of AgGaTe₂ chalcopyrite semiconductor," Appl. Opt. 49, 829-837 (2010)

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Abstract

The optical properties of $Ag Ga {Te}_{2}$ chalcopyrite semiconductor are studied by optical absorption, spectroscopic ellipsometry (SE), and thermoreflectance (TR) spectroscopy. Optical absorption spectra suggest that $Ag Ga {Te}_{2}$ is a direct-gap semiconductor having a bandgap of $\sim 1.2 eV$ at $T = 300 K$ . The pseudodielectric-function spectra of $Ag Ga {Te}_{2}$ are determined by SE in the range between $E = 1.2$ and $5.2 eV$ for both states of polarization. These spectra reveal distinct structures at energies of the critical points in the Brillouin zone. The TR spectra are also measured in the $E = 1.0 - 5.3 eV$ ranges at $T = 20 K - 300 K$ . The spin–orbit and crystal-field splitting parameters of $Ag Ga {Te}_{2}$ are determined to be $Δ_{so} = 0.70 eV$ and $Δ_{cr} = - 0.23 eV$ , respectively.

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CP	$E_{g} (0)$ $(eV)$	$α_{p}$ $(10^{- 4} eV / K)$	$Θ_{p}$ (K)	p	$d E_{g} / d T$ $(10^{- 4} eV / K)$
$E_{0}$ ^b	1.262	3.8	260	3.0	$- 3.6$
$E_{0}$ ^c	1.238	3.8	220	3.5	$- 3.7$
$E_{0 A}$	1.36	2.5	190	4.8	$- 2.5$
$E_{0 B}$	1.19	2.6	190	5.0	$- 2.6$
$E_{0 C}$	2.00	2.4	180	4.8	$- 2.4$
$E_{1}$	2.20	2.3	170	4.8	$- 2.3$
$E_{2}$	2.67	2.4	180	4.8	$- 2.4$
$E_{3}$	3.11	2.4	180	4.8	$- 2.4$
$E_{4}$	3.34	2.3	170	4.8	$- 2.3$
$E_{5}$	3.64	2.3	170	4.8	$- 2.3$
$E_{6}$	3.78	2.3	170	4.8	$- 2.3$
$E_{7}$	4.01	2.3	170	4.8	$- 2.3$
$E_{8}$	4.40	2.3	170	4.8	$- 2.3$
$E_{9}$	4.50	2.3	170	4.8	$- 2.3$
$E_{10}$	4.80	2.3	170	4.8	$- 2.3$
$E_{11}$	5.20	2.3	170	4.8	$- 2.3$

Parameter	$E ⊥ c$	$E ∥ c$	Parameter	$E ⊥ c$	$E ∥ c$
$E_{0 A}$ (eV)	1.31		$E_{6}$ (eV)	3.73	3.73
$E_{0 B}$ (eV)	1.14	1.14	$C_{6}$	0.91	0.92
$E_{0 C}$ (eV)	1.95	1.95	$γ_{6}$	0.27	0.27
$A_{0 A}$ ( ${eV}^{1.5}$ )	0.64		$E_{7}$ (eV)	3.96	3.96
$A_{0 B}$ ( ${eV}^{1.5}$ )	0.14	1.00	$C_{7}$	0.15	0.20
$A_{0 C}$ ( ${eV}^{1.5}$ )	0.50	0.27	$γ_{7}$	0.28	0.28
Γ (meV)	30	30	$E_{8}$ (eV)		4.35
$E_{1}$ (eV)	2.15	2.15	$C_{8}$	1.17
$C_{1}$	0.14	0.35	$γ_{8}$		0.23
$γ_{1}$	0.24	0.26	$E_{9}$ (eV)	4.45
$E_{2}$ (eV)	2.59	2.59	$C_{9}$	1.03
$C_{2}$	1.41	1.44	$γ_{9}$	0.23
$γ_{2}$	0.30	0.26	$E_{10}$ (eV)	4.75	4.75
$E_{3}$ (eV)	3.06	3.06	$C_{10}$	0.46	0.24
$C_{3}$	1.13	0.84	$γ_{10}$	0.23	0.23
$γ_{3}$	0.28	0.29	$E_{11}$ (eV)	5.15	5.15
$E_{4}$ (eV)	3.29		$C_{11}$	0.90	0.72
$C_{4}$	0.10		$γ_{11}$	0.23	0.23
$γ_{4}$	0.28		$E_{12}$ (eV)	6.30	6.30
$E_{5}$ (eV)	3.59	3.59	$C_{12}$	1.30	1.30
$C_{5}$	0.10	0.38	$γ_{12}$	0.30	0.30
$γ_{5}$	0.28	0.28	$ε_{1 \infty}$	1.46	1.53

CP	$E ⊥ c$			$E ∥ c$
CP	Expt. (eV)	Calc. (eV)	Transition	Expt. (eV)	Calc. (eV)	Transition
$E_{0 A}$	1.36	1.2	$Γ (29, 30) \to Γ (33, 34)$
$E_{0 B}$	1.19	1.1	$Γ (31, 32) \to Γ (33, 34)$	1.19	1.1	$Γ (31, 32) \to Γ (33, 34)$
$E_{0 C}$	2.00	1.7	$Γ (27, 28) \to Γ (33, 34)$	2.00	1.7	$Γ (27, 28) \to Γ (33, 34)$
$E_{1}$	2.20	2.5	$Γ (31, 32) \to Γ (35, 36)$	2.20	2.5	$Γ (31, 32) \to Γ (35, 36)$
$E_{2}$	2.67	2.9	$N (31, 32) \to N (33, 34)$	2.67	2.9	$N (31, 32) \to N (33, 34)$
$E_{3}$	3.11	3.0	$N (31, 32) \to N (35, 36)$	3.11	3.0	$N (31, 32) \to N (35, 36)$
$E_{4}$	3.34	3.1	$P (31, 32) \to P (33, 34)$
$E_{5}$	3.64	3.3	$P (31, 32) \to P (37, 38)$	3.64	3.3	$P (31, 32) \to N (37, 38)$
$E_{6}$	3.78	3.7	$N (31, 32) \to N (37, 38)$	3.78	3.7	$N (31, 32) \to N (37, 38)$
$E_{7}$	4.01	4.2	$N (27, 28) \to N (39, 40)$	4.01	4.2	$N (27, 28) \to N (39, 40)$
$E_{8}$				4.40	4.4	$S (29, 30) \to S (37, 38)$
$E_{9}$	4.50	4.6	$S (31, 32) \to S (39, 40)$
$E_{10}$	4.80	4.7	$P (27, 28) \to P (39, 40)$	4.80	4.7	$P (27, 28) \to P (39, 40)$
$E_{11}$	5.20	5.1	$N (31, 32) \to N (41, 42)$	5.20	4.9	$N (31, 32) \to N (41, 42)$

CP	$E_{g} (0)$ $(eV)$	$α_{p}$ $(10^{- 4} eV / K)$	$Θ_{p}$ (K)	p	$d E_{g} / d T$ $(10^{- 4} eV / K)$
$E_{0}$ ^b	1.262	3.8	260	3.0	$- 3.6$
$E_{0}$ ^c	1.238	3.8	220	3.5	$- 3.7$
$E_{0 A}$	1.36	2.5	190	4.8	$- 2.5$
$E_{0 B}$	1.19	2.6	190	5.0	$- 2.6$
$E_{0 C}$	2.00	2.4	180	4.8	$- 2.4$
$E_{1}$	2.20	2.3	170	4.8	$- 2.3$
$E_{2}$	2.67	2.4	180	4.8	$- 2.4$
$E_{3}$	3.11	2.4	180	4.8	$- 2.4$
$E_{4}$	3.34	2.3	170	4.8	$- 2.3$
$E_{5}$	3.64	2.3	170	4.8	$- 2.3$
$E_{6}$	3.78	2.3	170	4.8	$- 2.3$
$E_{7}$	4.01	2.3	170	4.8	$- 2.3$
$E_{8}$	4.40	2.3	170	4.8	$- 2.3$
$E_{9}$	4.50	2.3	170	4.8	$- 2.3$
$E_{10}$	4.80	2.3	170	4.8	$- 2.3$
$E_{11}$	5.20	2.3	170	4.8	$- 2.3$

Parameter	$E ⊥ c$	$E ∥ c$	Parameter	$E ⊥ c$	$E ∥ c$
$E_{0 A}$ (eV)	1.31		$E_{6}$ (eV)	3.73	3.73
$E_{0 B}$ (eV)	1.14	1.14	$C_{6}$	0.91	0.92
$E_{0 C}$ (eV)	1.95	1.95	$γ_{6}$	0.27	0.27
$A_{0 A}$ ( ${eV}^{1.5}$ )	0.64		$E_{7}$ (eV)	3.96	3.96
$A_{0 B}$ ( ${eV}^{1.5}$ )	0.14	1.00	$C_{7}$	0.15	0.20
$A_{0 C}$ ( ${eV}^{1.5}$ )	0.50	0.27	$γ_{7}$	0.28	0.28
Γ (meV)	30	30	$E_{8}$ (eV)		4.35
$E_{1}$ (eV)	2.15	2.15	$C_{8}$	1.17
$C_{1}$	0.14	0.35	$γ_{8}$		0.23
$γ_{1}$	0.24	0.26	$E_{9}$ (eV)	4.45
$E_{2}$ (eV)	2.59	2.59	$C_{9}$	1.03
$C_{2}$	1.41	1.44	$γ_{9}$	0.23
$γ_{2}$	0.30	0.26	$E_{10}$ (eV)	4.75	4.75
$E_{3}$ (eV)	3.06	3.06	$C_{10}$	0.46	0.24
$C_{3}$	1.13	0.84	$γ_{10}$	0.23	0.23
$γ_{3}$	0.28	0.29	$E_{11}$ (eV)	5.15	5.15
$E_{4}$ (eV)	3.29		$C_{11}$	0.90	0.72
$C_{4}$	0.10		$γ_{11}$	0.23	0.23
$γ_{4}$	0.28		$E_{12}$ (eV)	6.30	6.30
$E_{5}$ (eV)	3.59	3.59	$C_{12}$	1.30	1.30
$C_{5}$	0.10	0.38	$γ_{12}$	0.30	0.30
$γ_{5}$	0.28	0.28	$ε_{1 \infty}$	1.46	1.53

Abstract

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Tables (3)

Equations (23)

Applied Optics