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  • 7/28/2019 Effects of Shape and Strain Distribution of Quantum Dots on Optical Transition i

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    Effects of Shape and Strain Distribution of Quantum Dots on Optical Transition in the Quantum Dot Infrared Photodetectors

    http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/[5/19/2013 10:09:56 PM]

    J ournal List >Nanoscale Res Lett >v.3(12); 2008 >PMC2894248

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    Nanoscale Res Lett. 2008; 3(12): 534539.

    Published online 2008 October 21. doi: 10.1007/s11671-008-9175-8

    PMCID: P MC2894248

    Effects of Shape and Strain Distribution of Quantum Dots on Optical Transition

    in the Quantum Dot Infrared Photodetectors

    X-F Yang, X-S Chen, W Lu, andY Fu

    Author informationArticle notesCopyright and License information

    Abs trac t

    We present a systemic theoretical study of the electronic properties of the quantum dots inserted inquantum dot infrared photodetectors (QDIPs). The strain distribution of three different shapedquantum dots (QDs) with a same ratio of the base to the vertical aspect is calculated by using the short-range valence-force-field (VFF) approach. The calculated results show that the hydrostatic strain varies little with change of the shape, while the biaxial strain changes a lot for different shapes ofQDs. The recursion method is used to calculate the energy levels of the bound states in QDs. Compared

    with the strain, the shape plays a key role in the difference of electronic bound energy levels. The

    numerical results show that the deference of bound energy levels of lenslike InAs QD matches well withthe experimental results. Moreover, the pyramid-shaped QD has the greatest difference from themeasured experimental data.

    Keywords: Quantum dots, PL spectrum, Strain, QDIP

    Introduction

    Due to three-dimensional confinement for electrons in the quantum-dot structure, quantum-dotinfrared photodetectors (QDIPs) have attracted much attention for theoretical and experimental studiesin recent years [1-3]. One important characteristic for QDIPs is the sensitivity to normal-incidenceinfrared radiation which is advantage to focal plane arrays. The longer lifetime of excited electrons

    inspirited by the greatly suppressed electronphonon interaction makes the QDIPs have anotheradvantages of displaying low dark current, large detectivity, and better response [ 4]. The introductionof strain may provide a facile way to fabricate various wavelength from mid-wavelength to long-

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    Exciton ine structure an spin reaxation in semicon uctorcolloidal quantum dots. [Acc Chem Res. 2009]

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    Effects of Shape and Strain Distribution of Quantum Dots on Optical Transition in the Quantum Dot Infrared Photodetectors

    http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/[5/19/2013 10:09:56 PM]

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    wavelength multicolor infrared (IR) detectors via InAs or InGaAs quantum dot (QD) capped by GaAs,InGaAs, InP, or GaInP. Meanwhile, the geometry shape of QDs always results in quite differentresponding wavelength for QDIPs [5]. Nowadays, more complicated nanostructures, such as QDmolecules are investigated for the potential use of photoelectric devices [6]. It is well known that themuch sensitivity of QDs bound energy levels to the shape, size, and strain provides the detector greaterpotential to obtain the ideal responding wavelength for the application of medical or molecularapplication. So the study of the shape, size, and strain of QD system has been an interesting subject forthe development and precious controlling of the QDIPs structure.

    Much theoretical and experimental work has been done to explore the effect of the shape, size, or strainof QDs on the bound energy levels or the possible optical transition. The bound energy levels in fatlenslike QD basing on the quantum-well approximate theoretical results have a bigger difference bycomparing to the experimental results. In wojs work, the energy levels of lenslike In Ga As/GaAsQD were studied as a function of the dots size, and found that the parabolic confining potential and itscorresponding energy spectrum were shown to be and excellent approximation [7]. Here, we calculatethe strain energy of self-assembled QDs with the short-range valence-force-field (VFF) approach todescribe inter-atomic forces by using bond stretching and bending. The role of strain (for three differentshapes) in determining the bound levels is analyzed in detail. Considering three different shape QDs

    with the same ratio of the base to the vertical aspect 3:1, the bound energy levels are calculated by therecursion method [3]. The theoretical results show that the difference of bound energy levels of lenslikeInAs QD matches with the experimental results. While the bound energy levels of pyramid-shaped QDhave the biggest difference from the measured experimental data. Though the bound-to-continuumtransition of the truncated pyramid QD is mostly acceptable because the behavior is much similar to thestructure of the well-studied quantum-well infrared photodetectors (QWIPs), the bound ground statesof electrons and holes are very far from the experimental results.

    The paper is organized as following, in the section Sample Preparations and Experimental Results,the investigated experimental device and experimental results such as AFM/TEM images, thephotoluminescence (PL), and photocurrent (PC) spectrums are described. In the section TheoreticalResults and Discussions, the exact strain distributions of pyramid, truncated pyramid, and lenslike-shaped InAs/GaAs QD are calculated by the short-range VFF approach, and the energy levels of the

    bound states are calculated by the recursion method. The final section discusses the summary.

    Sample Preparations and Experimental Results

    Figure 1shows a schematic of the QDIP structure. The sample was grown on semi-insulating GaAs (001)substrates by using the solid-source molecular beam epitaxy (MBE). Five layers of nominally 3.0momolayer (ML) InAs (quantum dots) were inserted between highly Si-doped bottom and top GaAs1000 nm contact layers with doping density 1 10 cm . Each layer of InAs is capped by 21 MLspacer GaAs material to form the InAs QDs, and the five layers of GaAs/InAs are called S-QD. Inaddition there is a 50 nm GaAs layer inserted between the S-QD regions and bottom (top) Si-dopedGaAs contact layers, respectively.

    0.5 0.5

    18 3

    E ectronic structure an magneto-optics o se -assem e

    quantum dots. [Phys Rev B Condens Matter. 1996]

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    Effects of Shape and Strain Distribution of Quantum Dots on Optical Transition in the Quantum Dot Infrared Photodetectors

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    The typical constant-mode ambient atomic force microscopy (AFM) data and the cross-sectional TEMfor the counterpart samples are present in Fig. 2a and b, respectively. The average height of quantumdots is about 74 16 , and the quantum dot density has a range from 613/um to 733/um . Theaverage quantum dot width with the range from 228 to 278 represents the full width at halfmaximum (FWHM) of AFM scan profile. Figure 2b shows that the cross -sectional transmission electronmicroscope images on the S-QD counterpart. It is noted that the quantum dot density in the lower layeris higher than that in the upper layer.

    The near-infrared photoluminescence (PL) as a function of energy at 77 K is shown in Fig. 3. A mainpeak corresponding to the quantum dot ground state transitions is centered at 1.058 eV and a small

    broad shoulder due to smaller quantum dots or InAs wetting layer appears at 1.216 eV. Figure 4showsthe intra-band photocurrent as a function of energy at 77 K in the absence of bias. It is well known thatthe intra-band photocurrent can present more direct information on the quantum dot electronic states.

    An obvious intra- band photocurrent peak appears at 170.675 meV.

    Figure 1Typical QDIP structure of GaAs/InAs material

    Figure 2aTypical AFM-determined island size distribution.bCross-sectional TEM images ofQDIP structure

    Figure 3The near infrared photoluminescence (PL) spectra at 77 K

    2 2

    Strain energy an sta i ity o Si-Ge compoun s, a oys, ansuperlattices. [Phys Rev B Condens Matter. 1991]

    http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F2/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F2/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F3/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F4/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F1/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F2/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F3/http://www.ncbi.nlm.nih.gov/pubmed/9999700/http://www.ncbi.nlm.nih.gov/pubmed/9999700/http://www.ncbi.nlm.nih.gov/pubmed/9999700/http://www.ncbi.nlm.nih.gov/pubmed/9999700/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F3/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F3/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F2/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F2/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F1/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F1/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F4/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F3/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F2/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F2/
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    Go to:Theoretical Results and Discussions

    Strain and Confinement Profile

    Here, we adopt the short-range VFF approach to describe interatomic forces in terms of bandstretching and bending [8,9]. The model has been widely applied in bulk and alloys [ 10-14], as well as

    low-dimensional systems [15,16]. It was further developed to an enharmonic VFF model by Bernardand Zunger for SiGe compounds, alloys and superlattices [ 17]. In the VFF model, the deformation of alattice structure is completely specified when the location of every atom in a strained state is given [18],and the elastic energy of a bond is minimal in its three-dimensional bulk lattice structure. For smalldeformations, the bond energy can be written as a Taylor expansion in the variations of the bond lengthand the angles between the bond and its nearest neighbor bonds. Under the rubric of short-rangecontributions and by following the general notations in Ref. [9-14], the elastic energy of an interatomic

    bond (by setting the elastic energy at equilibrium as the zero reference) can be written in the harmonicform,

    (1)

    with j = 1,2...6 denoting the six nearest neighbor bonds in zinc blende structure. r is the variation ofthe length of bond i, and is the variation of the angle between the ith and the jth bonds. The total

    elastic energy is the sum of all bond energies The numerical values ofKs for VFFbonds of zinc blende bulk materials are easily obtained from elastic coefficients C C , and C listedin Ref. [17]. Table 1 lists the Cand K values for InAs and GaAs. Note thatKs values depend slightly onthe temperature of the material due to the temperature dependence of the lattice constant. Thedependence, however, is small. The values listed in Table 1 are obtained for the materials at 100 K.

    The local band edges employing the following formulas for the conduction (CB), the heavy hole (HH),and the light hole (LH) bands can be approximated as:

    (2)

    Figure 4The intra-band photocurrent (PC) at 77 K and 0 bias

    Table 1Values ofCs [19] and Ks (at 100 K) of zincblende InAs and GaAs bulk materials

    i

    ij

    11 12 44

    Strain energy and stability of Si-Ge compounds, alloys, andsuperlattices. [Phys Rev B Condens Matter. 1991]

    Strain energy and stability of Si-Ge compounds, alloys, andsuperlattices. [Phys Rev B Condens Matter. 1991]

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    where the hydrostatic strain and the biaxial strain are defined as

    (3)

    V and V are the heavy-hole and light-hole bands, a a and b are the deformation potentials, andE are the unstrained band edge energies. Notice that the sheer-strain-induced HHLH couplingand split-off contributions are ignored. In our calculation we adopt the parameters from Ref. [ 17].

    The investigated three different shaped InAs QDs follows pyramid-shaped (with the four facets being

    (111), and InAs QD with the height and base being 81 and 162 , respectively,truncated pyramid-shaped (with the four facets being same with these of pyramid-shaped QD) InAs QD

    with the height and base being 80 and 168 , respectively, and lense -shaped InAs QD with the heightand diameter being 80 and 240 , respectively. The distribution and value of strain is mainlydetermined by two factors. The first factor is the shape and volume of QD. Based on InAs and GaAs

    technology and the Stranski-Krastanov self-assembly technique, the QD can have different shape andsymmetry, which therefore has effect on the strain distribution in QD and the corresponding bandoffset. The second one is the degree of anisotropy of elastic property, which is described by elasticconstants. In our calculation, the QDIP system is made up of InAs/GaAs. So, the second term has thesame impact on the strain distribution. In the following, we will have a look at the relationship of thestrain distribution and the shape of QDs. The typical results are shown in Fig. 5. The hydrostatic strain makes the height of CB lower, but the height changes are almost same for different shape of QDs.

    While the biaxial strain is rather complex for the three different shapes. For the lens-shaped QD, theInAs lattice is compressed by GaAs in the growth plane and stretched in the plane, which is vertical tothe growth plane. The pyramid-shaped QD is more complex. The lattice of the top of QD is stretched inthe growth plane, and in the central = 0, which means that there is no splitting for the valence band

    in the position. The compressing and stretching condition of bottom in the pyramid QD is the same asthe lens-shaped QD. The difference of QD shape makes the strain distribution rather different, and thecalculated strain distribution of truncated-pyramid QD resembles to that of the pyramid-shaped QD.The existence of GaAs coating makes the strain distribution at the top of the three different shapes ofQD to present different characters as: < 0 and < 0 for lenslike and truncated-pyramid QD; and < 0 and > 0 for pyramid-shaped QD. Figure 6shows the calculated confinement potentialdistribution induced with the strain for three different shaped QD. The potential has differentcharacters. The difference of electron energy levels mainly comes from the difference of shape becausethere is little change in the value of for different shaped QDs. The role of hydrostatic strain makesthe height of CB less. The splitting of hole potential is determined by biaxial strain , which changes alot when the shape varies.

    H B

    HH LH c v

    CB/VB

    H

    B

    B

    H B

    H B

    H H

    B

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    The Calculation and Analysis of the Energy Level

    The recursion method is used to calculate the energy levels of three different shaped QDs [20]. For theexperimental data, the broadening (FWHM) of the PC spectrum and the first peak of the PL spectrumare 34.01 and 29.34 meV, respectively. The broadening is 131.42 meV for the second peak. The much

    greater difference in the FWHM implies the possibility that the second peak comes from wetting layer,but not from the bound levels of QDs. So for the simplicity of comparing with the experimental results,we only calculate all the energy levels of electron and the bound ground energy level of hole with thecorresponding results shown in Fig. 6 (dotted line).

    Next, we present the change in energy level for three different shape QDs. From Fig. 6, some results arefound. The energy difference between the ground states of hole and electron is 0.990 eV for pyramidQD, 1.215 eV for truncated pyramid QD, and 1.053 eV for lens-shaped QD, respectively. The possible

    bound-to-bound transition of electronic inter-subbands is 254.1 meV for pyramid QD and 156.4 meVfor lens-shaped QD. There is only one bound state in conduction band, so the possible transition ofdifferent energy levels is bound-to-continuum state with the energy being 199.3 meV. From the

    experimental data, the PL spectrum presents the ground state transition from electron to hole with thevalue being 1.058 eV. Compared with the experimental data, the corresponding calculated value has thedifference (d ) of 6.43% for pyramid QD, 14.8% for truncated-pyramid QD, and 0.47% for lens-shaped QD. Also the differences (d ) from the measured PC peak (170.675 meV) are 48.88%, 16.77%,and 8.36% for pyramid, truncated-pyramid, and lens-shaped QD, respectively. The compared resultsshow that the energy difference of the lens-shaped QD is the most favored for the possible QDstructure. Though the transition of the bound-to-continuum transition for truncated pyramid QD ismostly acceptable because the behavior is much like the well-studied QWIP structure, the energydifference of the bound ground states between electron and hole is rather far from the experimentalresults. The pyramid is not possible to be the shape of our investigated QD for the biggest difference of48.88%. If we define a parameter to estimate whether the shape or size is the most favored to QD of

    investigated QDIP structure, the most suitable expression should be

    Figure 5The calculated strain distribution of the pyramid and lens-shaped QD at x-z plane,

    wherea+care hydrostatic strain from 0.075 (blue) to 0.07 (red) andb+c) are biaxialstrain from 0.13 (blue) to 0.12 (red)

    Figure 6The calculated bandoffset (doted + line) and energy level (dotted line) of the threedifferent shaped QD when strain is included

    PL

    PC

    http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F6/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F6/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F5/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F6/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F6/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F6/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F5/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F5/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F6/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/figure/F6/
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    Effects of Shape and Strain Distribution of Quantum Dots on Optical Transition in the Quantum Dot Infrared Photodetectors

    http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894248/[5/19/2013 10:09:56 PM]

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    with d and d being the difference of calculated and measured PL and PC spectrum, respectively. Inour calculation, is 34.86%, 15.82%, and 5.92% for pyramid, truncated-pyramid, and lens-shaped QD,

    respectively. For the lens-shaped QD, has the least value, which means the QDIP structure is

    constructed by the lens-shaped QD. The lens-shaped InAs/GaAs QD is observed by many researchers,and in this way our calculation can get a good agreement with the measured data. Also the PL, PCspectrum, and provide us a way to find out the most suitable shape and size of QD which makes the

    minimum. The different shape of QDs can have different response wavelength as described in ourcalculation. The results mean that one can obtain the ideal response wavelength of QDIP structure bycontrolling the growth condition to change the shape of QDs.

    Summary

    In summary, we have studied the strain distribution of self-assembled QD by the short-range VFFapproach to describe inter-atomic forces in terms of bond stretching and bending. The strain-drivenself-assembled process of QD based on lattice mismatch has been clearly demonstrated. The recursionmethod is used to calculate the bound energy levels of QD for three different shapes but at the sameratio 3:1 for the base to the vertical aspect. For the three different shaped QD, the hydrostatic strain has a little change. The results indicate that the difference of bound energy is mainly controlled by

    the shape. The biaxial strain changes a lot with the shape. Moreover, the strain and the shape bothplay key role in determining the ground state of hole. The results show that the difference of bound-to-

    bound energy levels of lenslike InAs QD matches well with the experimental data, while the pyramid-shaped QD has the biggest difference from the measured data. Though the bound-to-continuumtransition for truncated pyramid QD is mostly acceptable because the behavior is much like the well-studied QWIP structure, the bound ground states between electron and hole value is rather far from theexperimental results. Also the biggest difference of 48.88% makes the pyramid an impossible shape forour investigated QD. Our theoretical investigation provides a feasible method for finding the mostseemly geometry and size of QDIP structure by adjusting the shape/size of QD and the comparingtheoretical and experimental results. It is useful in designing the ideal QDIPs device.

    Acknowledgmen ts

    The project is partially supported by the National Natural Science Foundation of China (GrantNo:10474020), CNKBRSF 2006CB13921507, and Knowledge Innovation Program of CAS.

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