Modulation of the optical properties of GaN（0001） surface by metal atom adsorption

Fig. 1. The 4×4×3 structures of （a） pristine GaN（0001） surface, and （b） GaN（0001） surface adsorbed with metal atom. （Adatoms occupy the center of the hexagon）

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Fig. 2. Energy band structures of （a） pristine GaN（0001） surface， and（b-d） GaN（0001） surface absorbed with different metal atoms. The blue solid lines represent G point of the Brillouin zone, the blue dashed line at 0 eV represents the Fermi level

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Fig. 3. PDOS of （a）pristine GaN（0001） surface, and （b-d） GaN（0001） surface absorbed with different metal atoms. The dashed line at 0 eV represents the Fermi level

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$Optical properties of GaN（0001） surface absorbed with different metal atoms （a） real part of dielectric function, （b） imaginary part of dielectric function, （c） absorption, （d） loss function, （e） reflectivity, and （f） real part of refractive index$

Fig. 4. Optical properties of GaN（0001） surface absorbed with different metal atoms （a） real part of dielectric function, （b） imaginary part of dielectric function, （c） absorption, （d） loss function, （e） reflectivity, and （f） real part of refractive index

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Table 1. Binding energies of atoms adsorbed on the GaN（0001） surface （E_b in eV）
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Table 1. Binding energies of atoms adsorbed on the GaN（0001） surface （E_b in eV）
Adatom Ni Ru Au
Binding energy （E_b/eV） -84.4 -80.0.6 -82.2

Table 2. Number of transferred charges between the adatoms and GaN（0001） surface. Positive values represent that charges transfer from adatoms to GaN（0001） surface
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Table 2. Number of transferred charges between the adatoms and GaN（0001） surface. Positive values represent that charges transfer from adatoms to GaN（0001） surface
Adatoms Ni Ru Au
Number of transferred charges 0.27 0.26 0.05

Table 3. Key parameters of the pristine GaN（0001） surface and the GaN（0001） surface adsorbed with different metal atoms

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Table 3. Key parameters of the pristine GaN（0001） surface and the GaN（0001） surface adsorbed with different metal atoms

	Pristine structure	Adsorption structure
	GaN（0001）	GaN（0001）-Ni	GaN（0001）-Ru	GaN（0001）-Au
E_g/eV	2.217	0.32	0.001	-
Φ/eV	4.42	3.43	3.77	5.29
ɛ₁（0）	3.44	2.94	6.25	4.21
α（ω）_max/μm^-1	21.30	4.99	3.93	5.03
L（ω）_max	5.20	1.59	0.98	1.43
R（ω）_max	0.36	0.085	0.2	0.12
n（ω）_max	2.07	1.72	2.52	2.06

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Jia-Bin LI, Xiao-Hua WANG, Wen-Jie WANG. Modulation of the optical properties of GaN（0001） surface by metal atom adsorption[J]. Journal of Infrared and Millimeter Waves, 2020, 39(6): 671

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Paper Information

Category: Materials and Devices

Received: Nov. 25, 2019

Accepted: --

Published Online: Jan. 20, 2021

The Author Email: Wen-Jie WANG (wangwenjie@xpu.edu.cn)

DOI:10.11972/j.issn.1001-9014.2020.06.002

Topics

laser devices and laser physics

Lasers and Laser Optics

Laser physics

laser manufacturing

Instrumentation, Measurement and Metrology

Table 1. Binding energies of atoms adsorbed on the GaN（0001） surface （Eb in eV）

Table 1. Binding energies of atoms adsorbed on the GaN（0001） surface （Eb in eV）

Table 2. Number of transferred charges between the adatoms and GaN（0001） surface. Positive values represent that charges transfer from adatoms to GaN（0001） surface

Table 2. Number of transferred charges between the adatoms and GaN（0001） surface. Positive values represent that charges transfer from adatoms to GaN（0001） surface

Table 3. Key parameters of the pristine GaN（0001） surface and the GaN（0001） surface adsorbed with different metal atoms

Table 3. Key parameters of the pristine GaN（0001） surface and the GaN（0001） surface adsorbed with different metal atoms

Table 1. Binding energies of atoms adsorbed on the GaN（0001） surface （E_b in eV）

Table 1. Binding energies of atoms adsorbed on the GaN（0001） surface （E_b in eV）