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Intersubband transition in lattice-matched BGaN/AlN quantum well structures with high absorption coefficients

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Abstract

Intersubband absorption properties of lattice-matched BGaN/AlN quantum well (QW) structures grown on AlN substrate are theoretically investigated using an effective mass theory considering the nonparabolicity of the conduction band. These results are compared with those of GaN/AlN QW structures. The intersubband absorption coefficient of the BGaN/AlN QW structure is shown to be enhanced significantly, compared to that of the conventional GaN/AlN QW structure. This can be explained by the fact that the BGaN/AlN QW structure exhibits larger intersuband dipole moment and quasi-Fermi-level separation than the GaN/AlN QW structure, due to the increase in the carrier confinement by a larger internal field. We expect that the BGaN/AlN QW structure with a high absorption coefficient can be used for telecommunication applications at 1.55 µm under the lattice-matched condition, instead of the conventional GaN/AlN QW structure with the large strain.

© 2017 Optical Society of America

1. Introduction

Intersubband (ISB) transitions in semiconductor quantum wells (QWs) has been attracting significant attention because ISB photodetectors present advantages in comparison with interband devices in terms of speed and reproducibility [1]. Among these materials, group III nitride semiconductors are interesting because they show the fastest optical response [2]. Room-temperature ISB absorption in the wavelength range of 1.3–1.55 µm has been reported for GaN/AlGaN and GaN/AlN QW structures [3–7]. However, in the case of the AlN/GaN heterostructures grown on GaN, the lattice-mismatch of 2.5 % is observed, which is large enough to generate structural defects [8] and crack formation [9–11]. Therefore, we need to design GaN-based heterostructures with reduced lattice-mismatch to minimize the formation of structural defects during the epitaxial growth.

Recently, BAlGaN [12] and BInGaN [13] quaternary layers containing boron were proposed as lattice-matched materials to the AlN substrate and the GaN substrate, respectively, because the growth of the lattice-matched quaternary system to AlN or GaN is possible with the inclusion of the small boron. Similarly, the BGaN system was proposed as novel class of materials lattice matched to AlN and SiC substrates [14–16]. In addition, Dreyer et al. [17] reported that the magnitude of the spontaneous polarization for wurtzite BN is estimated to be −2.174 C/m2. This value is roughly 25 times larger than that of wurtzite AlN (−0.090 C/m2) [18]. As a result, in a case of boron containing III-nitrides QW structures, a large internal field will be induced in the well. We expect that this gives a positive influence on absorption characteristics of boron containing system because a potential well depth becomes deeper due to the larger internal field, compared to the case with a small internal field. Hence, theoretical studies related to ISB transition in BGaN/AlN QW structures will be important for the design of optoelectronic devices for optical communications.

In this paper, we investigate intersubband absorption characteristics as a function of strain in BGaN/AlN QW structures grown on AlN substrate using an effective mass theory considering the nonparabolicity of the conduction band [19–21]. These results are compared with those of GaN/AlN QW structures. We consider an n-type modulation-doped QW with doping width of Lm=5 Å and the doping density N3D in the barrier region at both sides of the well because the lower subbands should be occupied by electrons for intersubband absorption. The sheet carrier density N2D in the well was varied from 1 × 1010 to 5 × 1012 cm−2 to investigate doping effect on the absorption coefficient. The donors are assumed to be all ionized. Then, the sheet carrier density N2D in the well is given by N3D × (2Lm). Here, we neglected effects such as impurity diffusion or impurity absorption.

2. Theoretical model

2.1. Nonparabolicity of conduction band

It has been known that the nonparabolicity of the conduction band should be included for semiconductor heterostructures with high barrier heights and narrow wells or in the case of very high carrier densities [20]. Then, the wave-functions and energy levels are obtained by solving the following Schrödinger equation

22ddz(1m(z,E)ddzΨ)+Vc(z)Ψ=EΨ,
where ħ is Planck’s constant divided by 2π and Vc(z) = V (z) + Vex(z) + Vϵ(z)−(z). Here, V (z) is the conduction band edge, Vex (z) is the exchange-correlation potential, Vϵ(z) = ac(ϵxx+ϵyy+ϵyy), ϵii is the strain tensor, ac is the conduction band deformation potential, and e is the magnitude of electron charge. ϕ(z) is the screening potential induced by the charged carriers, which is obtained by solving the Poisson equation, as discussed below. Vex (z) is given by [22]
Vex(z)=(9π4)1/32πrs[1+BArsln(1+Ars)]e28πϵoϵa*,
where rs is the dimensionless parameter characterizing electron gas, given by rs = [(4π/3)a*3n]−1/3, a* = (ϵ(z)/me(z))aB, ϵ(z) is the dielectric constant, and me(z) is the parabolic effective mass of the electron. The constants A and B in the calculation are 21 and 0.7734 [22], respectively. Taking the left corner (z1) of the well as a reference energy, the potential energy in the conduction band is given by
V(z)={|e|Fzb(zz1)+ΔEc,zz1|e|Fzw(zz1),z1<zz2|e|Fzb(zz2)+ΔEc,z2<z
where z2 is the right corner of the well, ΔEc is the conduction band offset, and Fz is the internal field due to the piezoelectric polarization PPZ and the spontaneous polarization PSP in the well (superscript w) and the barrier (superscript b). The electric fields in the well and the barrier are
Fzw=LbϵbLw+ϵwLb(PbPw)Fzb=LwϵbLw+ϵwLb(PbPw)
where Lw and Lb are the well width and the barrier width, respectively, and ϵw and ϵb are dielectric constants in the well and the barrier, respectively. Here, Pw=PwPZ+PwSP and Pb=PbPZ+PbSP are total polarizations in the well and the barrier, respectively. The effect of nonparabolicity is incorporated into eq. (1) simply by making the effective mass a function of the energy E. That is, the effective mass is given by [23]
m(z,E)=me(z)(1+EVc(z)Eg(z)),
where Eg (z) is the band gap energy.

2.2. Self-consistent calculation

The self-consistent band structures and wave functions are obtained by iteratively solving the Schrödinger equation for electrons and Poisson’s equation [24,25]. The total potential profile is

Vc(z)=Vcw(z)|e|ϕ(z),
where Vcw (z) = V (z) + Vex (z) + Vϵ(z) and ϕ(z) satisfies the Poisson equation
ddz(ϵ(z)ddz)ϕ(z)=e[ND+(z)+n(z)].

The electron concentration, n(z), is related to the wave functions of the l-th conduction subband by

n(z)=kTme(z)π2l|fl(z)|2ln(1+e[EfcEcl(0)]/kT)
where me is the effective mass of electrons, l is the quantized subband index for the conduction band, Efc is the quasi-Fermi levels of the electrons, respectively, Ecl (0) is the quantized energy level of the electrons, and fl (z) is the envelope functions in the conduction band. The Fermi level is obtained from the charge neutrality condition:
L/2L/2ρ(z)dz=0,
where L is the total length of the quantum well structure, i.e, L = Lw + 2Lb. The potential ϕ(z) is obtained by integration [24]:
ϕ(z)=L/2zE(z)dz,
where
E(z)=L/2z1ϵ(z)ρ(z)dz.

Eq. (1) leads to nonlinear eigenvalue problem because energy E appears in all the terms. i.e., H(E)Ψ = EΨ, which cannot be solved by conventional diagonalization routines. Instead, eigenvalues are obtained by scanning for energies Ei with det([H(Ei)] − Ei[I]) = 0, where [I] is the unity matrix [21]. Also, the wavefunctions corresponding to any particular Ei can be found by the following linear eigenproblem,

([H(Ei)]Ei[I])fi=λfi.

One of eigenvalues obtained from eq. (12) will be almost zero and the eigenvector corresponding to it is actually the eigenfunction corresponding to Ei.

2.3. Intersubband absorption spectrum

The intersubband absorption coefficient for the intersubband transition between the ground state (E1) and the first excited state (E2) is given by [24]

α(ω)=(ωnrcϵo)|μ21|2(Γ/2)(E2E1ω)2+(Γ/2)2(N2N1),
where ω is the angular frequency, c is the speed of light, o is the vacuum permittivity, Γ is the linewidth, nr is the refractive index, and
μ21=f2|ez|f1=f2*(z)ezf1(z)dz
is the intersubband dipole moment and N1 is the number of electrons per unit volume in the ith subband, which is given by
Ni=kTmeπ2Lwln(1+e[EfcEi]/kT).

Here, we used Γ/2 = 26 meV [26]. The material parameters for BN, GaN, and AlN used in the calculation are summarized in Table. I. In present, a deformation potential for BN is not well known. We assumed its parameter to be equal to that of GaN as a first approximation. The parameters for BxGa1−xN are obtained from the linear combination between the parameters of BN and GaN except for the band-gap energy. For that, we used Eg(x)=xEgBN+(1x)EgGaNCx(1x) with the bowing parameter C. However, there exists an uncertainty in the bowing parameters. For example, Ougazzaden et al. [36] reported the value of C= 9.2 eV while Kadys et al. [38] reported 4.0 eV. Here, we used the value of C= 9.2 eV. The influence of this uncertainty on the calculation results will be discussed in the below.

Tables Icon

Table 1. Physical parameters for BN, GaN, and AlN materials used in the calculation.

3. Results and discussion

Figure 1 shows (a) strain as the function of B content for BxGa1−xN/AlN QW structure grown on AlN substrate and intersubband transition wavelengths λ21 for (b) GaN/AlN and (c) lattice-matched BxGa1−xN/AlN (x=0.115) QW structures. The dashed lines are guideline for the zero strain (ϵ = 0) and the intersubband transition wavelength of 1.55 µm in the conduction band, respectively. The intersubband transition wavelength was obtained at a sheet carrier density of N2D = 1 × 1011cm−2. The absolute value of strain rapidly decreases with increasing boron content and becomes zero at a B content of x=0.115. That is, BxGa1−xN (x=0.115)/AlN QW structure is lattice-matched to AlN substrate. We see that the intersubband transition wavelength for both QW structures rapidly increases with increasing well width. The increasing rate of the wavelength for the QW structure with thick barrier width (Lb=30 Å) is shown to be smaller than that for the QW structure with thin barrier width (Lb=20 Å). Thus, the well width to give the intersubband transition wavelength of 1.55 µm increases with increasing barrier width. In the case of the lattice-matched BGaN/AlN QW structures, the wavelength of 1.55 µm for telecommunication applications are obtained at Lw=25 Å for Lb=20 Å and Lw=30 Å for Lb=30 Å, respectively. On the other hand, in the case of the conventional GaN/AlN QW structures, they are Lw=17 Å for Lb=20 Å and Lw=18 Å for Lb=30 Å, respectively. Well widths for the lattice-matched BGaN/AlN QW structures are much larger than those for the conventional GaN/AlN QW structures.

 figure: Fig. 1

Fig. 1 (a) Strain as the function of B content for BxGa1−xN/AlN QW structure grown on AlN substrate and intersubband transition wavelengths λ21 for (b) GaN/AlN and (c) lattice-matched BxGa1−xN/AlN (x=0.115) QW structures.

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Figure 2 shows (a) internal field as a function of B content for BxGa1−xN/AlN QW structures grown on AlN substrate and potential profiles and wave functions for the first two subbands (C1 and C2) in the conduction band of (b) GaN/AlN and (c) lattice-matched BxGa1−xN/AlN (x=0.115) QW structure. The absolute value of the internal field decreases with increasing boron content and becomes zero at x=0.04. The dashed line is guideline for the zero internal field. However, it begins to increase with sign change when the boron content exceeds x=0.04. Well and barrier widths (Å) for lattice-matched BGaN/AlN and conventional GaN/AlN QW structures are set to give the intersubband transition wavelength of 1.55 µm. Well and barrier widths (Lw, Lb) for BGaN/AlN and GaN/AlN QW structures are (25, 20) and (18, 30), respectively. For both QW structures, we observe that the two subbands are confined in the well and there exist a larger internal field in the well. However, the lattice-matched BGaN/AlN has much larger internal field and potential well depth than the conventional GaN/AlN QW structure. For example, internal fields for BGaN/AlN and GaN/AlN QW structures are 10.9 and 6.8 MV/cm, respectively. Also, the effective potential well depths for BGaN/AlN and GaN/AlN QW structures are about 2.5 and 5.0 eV, respectively. As a result, the former exhibits larger carrier confinement than the latter.

 figure: Fig. 2

Fig. 2 (a) Internal field as a function of B content for BxGa1−x N/AlN QW structures grown on AlN substrate and potential profiles and wave functions for the first two subbands (C1 and C2) in the conduction band of (b) GaN/AlN and (c) lattice-matched BxGa1−x N/AlN (x=0.115) QW structure.

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Figure 3 shows (a) intersubband dipole moment between the first two subbands in the conduction band and (b) quasi-Fermi level separation ΔEfc as a function of carrier density for lattice-matched BxGa1−xN/AlN (x=0.115) and GaN/AlN QW structures with the intersubband transition wavelength of 1.55 µm. The inset shows a square of the product of the wavefunctions as a function of the position (z) for the first two subbands ( Ψc1 and Ψc2) in the conduction band. Here, the quasi-Fermi-level separation ΔEfc is defined as the energy difference between the quasi-Fermi level and the ground-state energy in the conduction band. That is, ΔEfc = EfcEc1 where Ec1 is the ground state in the conduction band. The dipole moments for both BGaN−/AlN and GaN/AlN QW structures are nearly independent of the carrier density. However, the lattice-matched BGaN/AlN QW structure shows larger dipole moment than the conventional GaN/AlN QW structure. For example, they are 7.0 and 6.0×10−29C · m, respectively, for BGaN/AlN and GaN/AlN QW structures. This can be explained by the fact that the asymmetry of the wavefunction for the first excited state is enhanced due to the triangular shape of the potential well by the large internal field in the BGaN/AlN QW structure. The overlap between wave functions for the ground state and the first excited state is enhanced for the BGaN/AlN QW structure, as shown in the inset. The BGaN/AlN QW structure also show larger quasi-Fermi-level separation than the GaN/AlN QW structure. As a result, we expect that the BGaN/AlN QW structure will exhibit larger absorption coefficient than the GaN/AlN QW structure.

 figure: Fig. 3

Fig. 3 (a) Intersubband dipole moment between the first two subbands in the conduction band and (b) quasi-Fermi level separation ΔEfc as a function of carrier density for lattice-matched BxGa1−xN/AlN (x=0.115) and GaN/AlN QW structures with the intersubband transition wavelength of 1.55 μm. The inset shows a square of the product of the wave-functions as a function of the position (z) for the first two subbands ( Ψc1 and Ψc2) in the conduction band.

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In Fig. 4, we plotted intersubband absorption spectra as a function of the sheet carrier density for lattice-matched BxGa1−xN/AlN (x=0.115) and GaN/AlN QW structures with the intersubband transition wavelength of 1.55 μm. The solid lines in Fig. 4(b) show results for the case with the bowing parameter of C=4.0 eV. BGaN/AlN QW structures with C=4.0 eV show slightly smaller intersubband absorption coefficients and a small blue shift of the wavelength, compared to those with C=9.2 eV. That is, we observe that the overall tendency is not changed significantly with C=4.0 eV. The BGaN/AlN QW structure shows much larger intersubband absorption coefficients than the conventional GaN/AlN QW structure, irrespective of the sheet carrier density. This can be explained by the fact that the BGaN/AlN QW structure has larger intersubband dipole moment and quasi-Fermi-level separation than the conventional GaN/AlN QW structure. We note that, in present, there exist substantial technological difficulties in growing BGaN epilayers with boron content exceeding 5–7 %. For example, boron contents of up to 5 % were reported for chemical vapor deposition (CVD) and molecular beam epitaxy (MBE) growth [37, 38]. Also, up to 7 % were reached using ion implantation [39]. However, with the current progress in BGaN epilayer growth, we expect that the BGaN/AlN QW structure could be obtained with B content as high as 11.5 % in a future.

 figure: Fig. 4

Fig. 4 Intersubband absorption spectra as a function of the sheet carrier density for lattice-matched BxGa1−xN/AlN (x=0.115) and GaN/AlN QW structures with the intersubband transition wavelength of 1.55 μm. The solid lines in Fig. 4(b) show results for the case with the bowing parameter of C=4.0 eV.

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4. Conclusion

In conclusion, optical absorption properties of lattice-matched BGaN/AlN QW structures grown on AlN substrate were investigated considering the nonparabolicity of the conduction band. These results were compared with those of GaN/AlN QW structures. We found that the BGaN/AlN QW structure has larger intersubband dipole moment and quasi-Fermi-level separation than the conventional GaN/AlN QW structure. This is mainly due to the fact that the overlap between wave functions for the ground state and the first excited state and the carrier confinement were enhanced for the BGaN/AlN QW structure. As a result, The BGaN/AlN QW structure shows much larger intersubband absorption coefficients than the conventional GaN/AlN QW structure. Hence, we expect that the lattice-matched BGaN/AlN QW structure can be used for telecommunication applications at 1.55 μm with the high absorption coefficient.

Funding

This work was supported by the ICT R&D program of MSIP/IITP [1711028311, Reliable crypto-system standards and core technology development for secure quantum key distribution network] and partially supported by Basic Science Research Program through the National Research Foundation of Korea(NRF) funded by the Ministry of Education, Science and Technology(2015R1D1A1A01057110).

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Figures (4)

Fig. 1
Fig. 1 (a) Strain as the function of B content for B x Ga1− x N/AlN QW structure grown on AlN substrate and intersubband transition wavelengths λ21 for (b) GaN/AlN and (c) lattice-matched B x Ga1− x N/AlN (x=0.115) QW structures.
Fig. 2
Fig. 2 (a) Internal field as a function of B content for B x Ga1− x N/AlN QW structures grown on AlN substrate and potential profiles and wave functions for the first two subbands (C1 and C2) in the conduction band of (b) GaN/AlN and (c) lattice-matched B x Ga1− x N/AlN (x=0.115) QW structure.
Fig. 3
Fig. 3 (a) Intersubband dipole moment between the first two subbands in the conduction band and (b) quasi-Fermi level separation ΔEfc as a function of carrier density for lattice-matched B x Ga1− x N/AlN (x=0.115) and GaN/AlN QW structures with the intersubband transition wavelength of 1.55 μm. The inset shows a square of the product of the wave-functions as a function of the position (z) for the first two subbands ( Ψ c 1 and Ψ c 2 ) in the conduction band.
Fig. 4
Fig. 4 Intersubband absorption spectra as a function of the sheet carrier density for lattice-matched B x Ga1− x N/AlN (x=0.115) and GaN/AlN QW structures with the intersubband transition wavelength of 1.55 μm. The solid lines in Fig. 4(b) show results for the case with the bowing parameter of C=4.0 eV.

Tables (1)

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Table 1 Physical parameters for BN, GaN, and AlN materials used in the calculation.

Equations (15)

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2 2 d d z ( 1 m ( z , E ) d d z Ψ ) + V c ( z ) Ψ = E Ψ ,
V e x ( z ) = ( 9 π 4 ) 1 / 3 2 π r s [ 1 + B A r s ln ( 1 + A r s ) ] e 2 8 π ϵ o ϵ a * ,
V ( z ) = { | e | F z b ( z z 1 ) + Δ E c , z z 1 | e | F z w ( z z 1 ) , z 1 < z z 2 | e | F z b ( z z 2 ) + Δ E c , z 2 < z
F z w = L b ϵ b L w + ϵ w L b ( P b P w ) F z b = L w ϵ b L w + ϵ w L b ( P b P w )
m ( z , E ) = m e ( z ) ( 1 + E V c ( z ) E g ( z ) ) ,
V c ( z ) = V c w ( z ) | e | ϕ ( z ) ,
d d z ( ϵ ( z ) d d z ) ϕ ( z ) = e [ N D + ( z ) + n ( z ) ] .
n ( z ) = k T m e ( z ) π 2 l | f l ( z ) | 2 ln ( 1 + e [ E f c E c l ( 0 ) ] / k T )
L / 2 L / 2 ρ ( z ) d z = 0 ,
ϕ ( z ) = L / 2 z E ( z ) d z ,
E ( z ) = L / 2 z 1 ϵ ( z ) ρ ( z ) d z .
( [ H ( E i ) ] E i [ I ] ) f i = λ f i .
α ( ω ) = ( ω n r c ϵ o ) | μ 21 | 2 ( Γ / 2 ) ( E 2 E 1 ω ) 2 + ( Γ / 2 ) 2 ( N 2 N 1 ) ,
μ 21 = f 2 | e z | f 1 = f 2 * ( z ) e z f 1 ( z ) d z
N i = k T m e π 2 L w ln ( 1 + e [ E f c E i ] / k T ) .
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