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Polarization characteristics of semipolar (112̄2) InGaN/GaN quantum well structures grown on relaxed InGaN buffer layers and comparison with experiment

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Abstract

Partial strain relaxation effects on polarization ratio of semipolar (112̄2) InxGa1−xN/GaN quantum well (QW) structures grown on relaxed InGaN buffers were investigated using the multiband effective-mass theory. The absolute value of the polarization ratio gradually decreases with increasing In composition in InGaN buffer layer when the strain relaxation ratio (εyy0εyy)/εyy0 along y′-axis is assumed to be linearly proportional to the difference of lattice constants between the well and the buffer layer. Also, it changes its sign for the QW structure grown on InGaN buffer layer with a relatively larger In composition (x > 0.07). These results are in good agreement with the experiment. This can be explained by the fact that, with increasing In composition in the InGaN subsrate, the spontaneous emission rate for the y′-polarization gradually increases while that for x′-polarization decreases due to the decrease in a matrix element at the band-edge (k = 0).

© 2014 Optical Society of America

1. Introduction

Nonpolar and semipoalr GaN-based quantum well (QW) structures have received a great deal of attention in recent years for their potential application in blue-green optoelectronic devices because the internal field is expected to be reduced compared to those with the (0001) crystal orientation [13]. Also, they show a giant in-plane optical anisotropy in the optical matrix elements [46]. This results in a great polarization ratio ρ because a spontaneous emission rate is related to absolute square of the optical matrix element. ρ is defined as (Iy′Ix′)/(Iy′ + Ix′) where I is the peak intensity of spontaneous emission rate for x’- and y’-polarizations, respectively, and directly reflects the energy-band structures of emitting layers because the light intensity is mainly determined by the transition between the lowest conduction subband and the topmost valence subband [7]. Among them, the semipolar (112̄2) plane is of special interest because high efficiency green and yellow light-emitting diodes (LEDs) have already been demonstrated on this plane [8, 9]. On the other hand, in the case of a long wavelength region, the lattice mismatch between InGaN wells and the GaN underlayer is large and significant compressive stress in an InGaN quantum well generates defects and deteriorates the performance of the optical devices [10, 11].

Recently, several groups [1214] proposed a relaxed InGaN underlayer as one way to reduce lattice mismatch. It was shown that the use of ternary InGaN buffer layers resulted in significant changes in polarization properties of green-emitting QW structures [14]. The polarized light source is desirable for backlighting of liquid crystal displays (LCDs) and for improving laser diode (LD) performance by the appropriate selection of waveguide direction using polarized emission [15, 16]. The understanding of physical mechanisms related to this topic will be important for the realization of high efficiency green optoelectronic devices. However, many fundamental properties of (112̄2)-oriented InGaN-based QW structures grown on relaxed In-GaN buffers are not yet well understood because studies based on these structures are in an early developmental stage. In particular, there has been very little work done on partial strain relaxation effects on electronic and optical properties of these QW structures and comparison with experiment.

In this paper, we investigate partial strain relaxation effects on polarization ratio of semipolar (112̄2) InGaN/GaN QW structures grown on relaxed InGaN buffers using the multiband effective-mass theory. We compare these results with those reported experimentally. Here, we consider the free carrier model with the band-gap renormalization. The valence-band structure for the (112̄2) crystal orientation is calculated by using a 6 × 6 Hamiltonian based on the k · p method [1].

2. Theory

The Hamiltonian for an arbitrary crystal orientation can be obtained using a rotation matrix

U=(cosθcosϕcosθsinϕsinθsinϕcosϕ0sinθcosϕsinθsinϕcosθ).
Rotations of the Euler angles θ and ϕ transform the physical quantities from (x, y, z) coordinates to (x′, y′, z′) coordinates. The z-axis corresponds to the c-axis [0001], and the growth axis (defined as the z′-axis) is normal to the QW plane (hkil). The relation between the coordinate systems for vectors and tensors is expressed as
ki=Uiαkα,εij=UiαUjβεαβ,Cijkl=UiαUjβUkγUlδCαβγδ,
where summation over repeated indices is implicit. Then, we obtain a 6 × 6 Hamiltonian for the (112̄2) orientation by using the transformation relation with θ = 56° and ϕ = 0. [17, 18]

The spontaneous emission coefficient including the effects of anisotropy on the valence band dispersion is given by [19, 20]

gsp(ω)=μoε2(e2mo2ω)02πdϕ00dk2k(2π)2Lw|e^Mlm(k,ϕ0)|2flc(k,ϕ0)(1fmv)(k,ϕ0))ReL(ω,k,ϕ0),
where ω is the angular frequency, μo is the vacuum permeability, ε is the dielectric constant, e is the charge of an electron, mo is the free electron mass, ϕ0 is the angle between kx′ and ky′ wavevectors, k′ is the magnitude of the in-plane wave vector in the QW plane, Lw is the well width, ê′ is a unit vector in the direction of the optical electric field, |M′lm|2 is the momentum matrix element in the strained QW, flc and fmv are the Fermi functions for occupation probability by the electrons in the conduction subband states and the valence subband states, respectively. The indices l and m denote the electron states in conduction subband and heavy hole (light hole) subband states, respectively. Also, Elm(k,h¯ω,ϕ0)=Elc(k,ϕ0)Emv(k,ϕ0)+Eg+ΔESX+ΔECHh¯ω is the renormalized transition energy between electrons and holes, where Eg is the band gap of the material, and ΔESX and ΔECH are the screened exchange and the Coulomb-hole contributions [21, 22] to the band-gap renormalization, respectively. Here, is the Planck constant. The line-shape function is Gaussian for the simplest non-Markovian quantum kinetics and is given in [19] and [20].

The spontaneous emission rate rspon can be obtained from our calculated spontaneous emission spectrum gsp by using

rspon(E)=4n2h¯λ2gsp(E),
where n is the refractive index of the quantum well and E = 2πch̄/λ with c being the speed of light. The material parameters for GaN and InN used in the calculation were taken from [23] and references in there, except for band-gap. The band-gap expression was obtained from [24]. The parameters for InxGa1−xN were obtained from the linear combination between the parameters of GaN and InN except for the band-gap.

3. Results and discussion

Experimental results on semi-polar (112̄2) InGaN/GaN QW structures showed that the polarization switching changing from y′- to x′-polarization occurs at the In composition of about 0.3 for the QW structure with Lw=3 nm under low excitation power [7,25]. The origin of the polarization switching is still not clear. Some groups proposed very large values of the deformation potential D6 (−8.8, −7.1, and −5.5 eV) to explain polarization switching [7, 26, 27]. However, first-principles calculations and experimental measurements showed much smaller D6 values of 3.95 and 3.02 eV, respectively [28, 29]. Using these values, the polarization switching was not observed for bulk InGaN under the homogeneous strain. On the other hand, Yan et al. [28] and Roberts et al. [30] suggested that partial strain relaxation is a cause of polarization switching of semipolar InGaN grown on GaN buffer layers because partial strain relaxation has been observed in semipolar InGaN samples [31]. Here, we assume that partial strain relaxation is a cause of polarization switching [32]. First, for comparison with the experiment result for the polarization ratio of green-emitting InGaN/GaN QW structures grown on InGaN suffer layers, we need the value of a partial strain relaxation along y’-axis (εyy0εyy) for the InGaN/GaN QW structure grown on the GaN buffer layer.

Figure 1 shows the polarization ratio as a function of the strain relaxation of εyy/εyy0 along [11̄00] (y′-axis) for the (112̄2)-oriented InxGa1−xN/GaN QW structures (Lw=3.5 nm) grown on GaN buffer layer with several strain relaxation εxx/εxx0. The polarization ratio is calculated at the carrier density of 2 × 1019 cm−3. The In composition (x=0.34) was selected to give a transition wavelength of about 530 nm. The polarization ratio ρ is defined as (Iy′Ix′)/(Iy′ + Ix′) where I is the peak intensity of spontaneous emission rate for x′- and y′-polarizations, respectively. Here, strain component εx′x′ was normalized with εxx0, which is a strain component with no strain relaxation. Thus, εxx/εxx0=1.0 means no strain relaxation. Similarly, strain component εy′y′ was also normalized with εyy0. Recently, Uchida et al. [14] showed that the polarization ratio is about −0.3 for (112̄2)-oriented 530 nm InGaN/GaN QW structure (Lw=3.5 nm) grown on GaN buffer. Then, we obtain the value of εyy/εyy0=0.58 from the comparison with the experiment.

 figure: Fig. 1

Fig. 1 Polarization ratio as a function of the strain relaxation of εyy/εyy0 along [11̄00] (y′-axis) for the (112̄2)-oriented InxGa1−xN/GaN QW structures (Lw=3.5 nm) grown on GaN buffer layer with several strain relaxation εxx/εxx0.

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Figure 2 shows the polarization ratio as a function of In composition of InGaN buffer and comparison with experimental data for the (112̄2)-oriented InxGa1−xN/GaN QW structures (Lw=3.5 nm) grown on InGaN buffers. The experimental data were taken from [14]. Here, εxx/εxx0 was fixed to be 0.2 for all cases because the polarization ratio is its weak function. We assume that the strain relaxation ratio (εyy0εyy)/εyy0 is linearly proportional to the difference of lattice constants between the well and the substrata. For example, values of (εyy0εyy)/εyy0 used in the calculation are 0.65 and 0.72 for cases grown on InGaN buffers with In compositions of 0.05 and 0.10, respectively. Here, in the case of the QW structure grown on GaN buffer layer (y=0.0), εyy/εyy0=0.58 was used in the calculation of the in-plane optical ratio, as shown in Fig. 1. The absolute of the polarization ratio gradually decreases with increasing In composition in InGaN buffer layer and change its sign for the QW structure grown on InGaN buffer layer with a relatively larger In composition. We know that theoretical results are in good agreement with the experiment. To understand behavior of the polarization ratio by the partial strain relaxation effects, we need to calculate the peak intensities of spontaneous emission rate in addition to the electronic and optical properties such as valence band structrues and optical matrix elements for QW structures with different In compositions in the buffer layers. In particular, the polarization ratio is directly related to states constituting the topmost valence subband at the Γ point of the valence band structures because the light intensity is mainly determined by the transition between the lowest conduction subband and the topmost valence subband.

 figure: Fig. 2

Fig. 2 Polarization ratio as a function of In composition of InGaN buffer and comparison with experimental data for the (112̄2)-oriented InxGa1−xN/GaN QW structures (Lw=3.5 nm) grown on InGaN buffers. The experimental data were taken from [14].

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Figure 3 shows valence band structures along kx′ and ky′ of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10. The naming of the subbands for the QW structure follows the dominant composition of the wave function at the Γ point in terms of the |X′〉, |Y′〉, and |Z′〉 bases. The components Pmi=(X,Y,Z) of each wave function are given by PmX=gm(3)|gm(3)+gm(6)|gm(6), PmY=(gm(1)+gm(2)+gm(1)+gm(2)+gm(4)+gm(5)|gm(4)+gm(5))/2, PmZ=(gm(2)gm(1)|gm(2)gm(1)+gm(4)gm(5)|gm(4)gm(5))/2. Here, εxx/εxx0 was fixed to be 0.2 for all cases. We know that states constituting the topmost valence subband at the Γ point are predominantly |X′>-like for QW structures grown on InGaN buffer layers with relatively small In compositions. On the other hand, the QW structure grown on the In-GaN buffer layer with a relatively larger In composition (x=0.1) shows that states constituting the topmost valence subband at the Γ point are predominantly |Y′>-like. Thus, in the case of the QW structure grown on the InGaN buffer layer with a relatively larger In composition, optical matrix element and spontaneous emission rate for y’-polarization are expected to be dominant, as discussed below. Also, the average hole effective mass slightly increases for the QW structure grown on the InGaN buffer layer. For example, the average hole effective masses are 1.08 and 1.27 mo at the carrier density of 2 × 1019 cm−3 for QW structures grown on GaN and InGaN (x = 0.10) buffer layers, respectively. Here, hole effective masses are averaged in the kx′ -ky′ plane because they show anisotropy in the QW plane for general crystal orientation. To estimate the magnitude of the hole effective mass, we consider the parabolic band fitted to the lowest subband of the exact band structure.

 figure: Fig. 3

Fig. 3 Valence band structures along kx′ and ky′ of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10.

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Figure 4 shows optical matrix elements for x′- and y′-polarizations of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10. Here, the notation k means that the optical matrix elements were averaged in kx′ -ky′ QW plane because they depend on the angle ϕ between kx′ and ky′ wavevectors. In the case of the QW structure grown on the InGaN buffer layer with a relatively smaller In composition, the x′-polarized matrix element is dominant at the band-edge (k = 0) and rapidly decreases with increasing k. However, the y′-polarized matrix element rapidly increases with increasing k and becomes similar to the x′-polarized matrix element at a large k. On the other hand, in the case of the QW structure grown on the InGaN buffer layer with a relatively larger In composition (x = 0.10), the y′-polarized matrix element becomes dominant at the band-edge.

 figure: Fig. 4

Fig. 4 Optical matrix elements for x′- and y′-polarizations of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10.

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Figure 5 shows spontaneous emission rate for x′- and y′-polarizations of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10. The spontaneous emission rate is calculated at the carrier density of 2 × 1019 cm−3. Here, the spontaneous emission rate was averaged in k′x-k′y QW plane. In the case of the QW structure grown on GaN buffer layer, the spontaneous emission rate for the x′-polarization is shown to be larger than that for the y′-polarization. On the other hand, with increasing In composition in the InGaN subsrate, the spontaneous emission rate for the y′-polarization gradually increases while that for x′-polarization gradually decreases due to the decrease in a matrix element at the band-edge (k = 0). Thus, the absolute value of the polarization ratio decreases with increasing In composition in the InGaN buffer layer and changes its sign for the QW structure with a relatively larger In composition (x > 0.07). For example, polarization ratios are −0.3 and 0.1 for QW structures grown on InGaN buffer layers with 0.0 and 0.1, respectively.

 figure: Fig. 5

Fig. 5 Spontaneous emission rate for x′- and y′-polarizations of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10.

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4. Conclusion

In summary, partial strain relaxation effects on polarization ratio of semipolar (112̄2) In-GaN/GaN QW structures grown on relaxed InGaN buffers were investigated using the multi-band effective-mass theory. The absolute of the polarization ratio gradually decreases with increasing In composition in InGaN buffer layer and change its sign for the QW structure grown on InGaN buffer layer with a relatively larger In composition. Theoretical results are in good agreement with the experiment. This can be explained by the fact that, with increasing In composition in the InGaN subsrate, the spontaneous emission rate for the y′-polarization gradually increases while that for x′-polarization decreases.

Acknowledgments

This work is supported by the Samsung Advanced Institute of Technology in Samsung Electronics Co., Ltd. under the Technology Collaboration program.

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Figures (5)

Fig. 1
Fig. 1 Polarization ratio as a function of the strain relaxation of ε y y / ε y y 0 along [11̄00] (y′-axis) for the (112̄2)-oriented InxGa1−xN/GaN QW structures (Lw=3.5 nm) grown on GaN buffer layer with several strain relaxation ε x x / ε x x 0.
Fig. 2
Fig. 2 Polarization ratio as a function of In composition of InGaN buffer and comparison with experimental data for the (112̄2)-oriented InxGa1−xN/GaN QW structures (Lw=3.5 nm) grown on InGaN buffers. The experimental data were taken from [14].
Fig. 3
Fig. 3 Valence band structures along kx′ and ky′ of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10.
Fig. 4
Fig. 4 Optical matrix elements for x′- and y′-polarizations of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10.
Fig. 5
Fig. 5 Spontaneous emission rate for x′- and y′-polarizations of the (112̄2)-oriented InxGa1−xN/GaN QW structures (x=0.34, Lw=3.5 nm) grown on InyGa1−yN buffer layer with (a) y=0.0, (b) 0.05, and (c) 0.10.

Equations (4)

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U = ( cos θ cos ϕ cos θ sin ϕ sin θ sin ϕ cos ϕ 0 sin θ cos ϕ sin θ sin ϕ cos θ ) .
k i = U i α k α , ε i j = U i α U j β ε α β , C i j k l = U i α U j β U k γ U l δ C α β γ δ ,
g sp ( ω ) = μ o ε 2 ( e 2 m o 2 ω ) 0 2 π d ϕ 0 0 d k 2 k ( 2 π ) 2 L w | e ^ M l m ( k , ϕ 0 ) | 2 f l c ( k , ϕ 0 ) ( 1 f m v ) ( k , ϕ 0 ) ) Re L ( ω , k , ϕ 0 ) ,
r spon ( E ) = 4 n 2 h ¯ λ 2 g sp ( E ) ,
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