First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

We have implemented first-principles relativistic pseudopotential calculations within general gradient approximation to investigate the structural and electronic properties of quaternary InAs/GaSb superlattices with an InSb or GaAs type of interface. Because of the complexity and low symmetry of the quaternary interfaces, the interface energy and strain in the InAs/GaSb superlattice system have been calculated to determine the equilibrium interface structural parameters. The band structures of InAs/GaSb superlattices with InSb and GaAs interfaces have been calculated with respect to the lattice constant and atomic position relaxations of the superlattice interfaces. The calculation of the relativistic Hartree–Fock pseudopotential in local density approximation has also been performed to verify the calculated band structure results that have been predicted in other empirical theories. The calculated band structures of InAs/GaSb superlattices with different types of interface (InSb or GaAs) have been systematically compared. We find that the virtual–crystal approximation fails to properly describe the quaternary InAs/GaSb superlattice system, and the chemical bonding and ionicity of anion atoms are essential in determining the interface and electronic structures of InAs/GaSb superlattice system.     

InAs/GaSb superlattices grown by LP-MOCVD for ∼10 μm wavelength infrared range

A type-II InAs/GaSb superlattice (SL) was grown on Te-doped (1 0 0) GaSb substrate by low pressure metal organic chemical vapor deposition (LP-MOCVD). The samples were obtained at different growth temperatures and with different interface layers. By introducing an InAsSb interface layer between InAs and GaSb, a good surface morphology of the superlattice was achieved when the sample growth temperature was around 500–520 °C. The photoluminescence (PL) peak wavelength of the sample was 10.7 μm at 77 K, with FWHM of ∼30 meV.     

Electronic structure modeling of InAs/GaSb superlattices with hybrid density functional theory

The application of first-principles calculations holds promise for greatly improving our understanding of semiconductor superlattices. Developing a procedure to accurately predict band gaps using hybrid density functional theory lays the groundwork for future studies investigating more nuanced properties of these structures. Our approach allows a priori prediction of the properties of SLS structures using only the band gaps of the constituent materials. Furthermore, it should enable direct investigation of the effects of interface structure, e.g., intermixing or ordering at the interface, on SLS properties. In this paper, we present band gap data for various InAs/GaSb type-II superlattice structures calculated using the generalized Kohn-Sham formulation of density functional theory. A PBE0-type hybrid functional was used, and the portion of the exact exchange was tuned to fit the band gaps of the binary compounds InAs and GaSb with the best agreement to bulk experimental values obtained with 18% of the exact exchange. The heterostructures considered in this study are 6 monolayer (ML) InAs/6 ML GaSb, 8 ML InAs/8 ML GaSb and 10 ML InAs/10 ML GaSb with deviations from the experimental band gaps ranging from 3% to 11%.     

Optimization of InAs/GaSb type-II superlattices for high performance of photodetectors

The optimum growth conditions and strain balancing processes have been studied using molecular beam epitaxy (MBE) grown 51 Å InAs/40 Å GaSb type-II superlattices (SLs) designed to have cut-off wavelength of 10 μm. The most dominant factor in reducing the defect level in the SL structure was buffer growth temperature evidenced by transmission electron microscopy. In the study of the strain balancing process, the SLs could be lattice matched to the GaSb substrate by increasing the thickness of the InSb interfaces (IFs) from a nominal value of 1.0 to 1.4 ML, however, the structural quality degraded dramatically when the thickness of IFs reached beyond 1.0 ML. By optimizing the growth condition and MBE shutter sequences, micron thick InAs/GaSb SLs with a reduced lattice mismatch were routinely obtained with the full-width half-maximum of 18 arcsec, and the root mean square values of surface roughness of 2 Å in 5 μm area scan of atomic force microscopy demonstrating high quality. Correlation between material quality and photoresponse signal strength in photoconductivity measurements was made on SL samples with cut-off wavelength on the order of 10 μm.     

第一原理研究界面弛豫对InAs/GaSb超晶格界面结构、能带结构和光学性质的影响

通过广义梯度近似的第一原理全电子相对论计算, 研究了不同界面类型InAs/GaSb超晶格的界面结构、电子和光吸收特性. 由于四原子界面的复杂性和低对称性, 通过对InAs/GaSb超晶格进行电子总能量和应力最小化来确定弛豫界面的结构参数. 计算了InSb, GaAs型界面和非特殊界面(二者交替)超晶格的能带结构和光吸收谱, 考察了超晶格界面层原子发生弛豫的影响.为了证实能带结构的计算结果, 用局域密度近似和Hartree-Fock泛函的平面波方法进行了计算. 对不同界面类型InAs/GaSb超晶格的能带结构计算结果进行了比较, 发现界面Sb原子的化学键和离子性对InAs/GaSb超晶格的界面结构、 能带结构和光学特性起着至关重要的作用.     

Morphological instability in InAs/GaSb superlattices due to interfacial bonds

Synchrotron x-ray diffraction is used to compare the misfit strain and composition in a self-organized nanowire array in an InAs/GaSb superlattice with InSb interfacial bonds to a planar InAs/GaSb superlattice with GaAs interfacial bonds. It is found that the morphological instability that occurs in the nanowire array results from the large misfit strain that the InSb interfacial bonds have in the nanowire array. Based on this result, we propose that tailoring the type of interfacial bonds during the epitaxial growth of III-V semiconductor films provides a novel approach for producing the technologically important morphological instability in anomalously thin layers.     

Interfaces as design tools for short-period InAs/GaSb type-II superlattices for mid-infrared detectors

The effect of interface anisotropy on the electronic structure of InAs/GaSb type-II superlattices is exploited in the design of thin-layer superlattices for mid-IR detection threshold. The design is based on a theoretical envelope function model that incorporates the change of anion and cation species across InAs/GaSb interfaces, in particular, across the preferred InSb interface. The model predicts that a given threshold can be reached for a range of superlattice periods with InAs and GaSb layers as thin as a few monolayers. Although the oscillator strengths are predicted to be larger for thinner period superlattices, the absorption coefficients are comparable because of the compensating effect of larger band widths. However, larger intervalence band separations for thinner-period samples should lead to longer minority electron Auger lifetimes and higher operating temperatures in p-type SLs. In addition, the hole masses for thinner-period samples are on the order the free-electron mass rather than being effectively infinite for the wider period samples. Therefore, holes should also contribute to photoresponse. A number of superlattices with periods ranging from 50.6 to 21.2 Å for the 4 μm detection threshold were grown by molecular beam epitaxy based on the model design. Low temperature photoluminescence and photoresponse spectra confirmed that the superlattice band gaps remained constant at 330 meV although the period changed by the factor of 2.5. Overall, the present study points to the importance of interfaces as a tool in the design and growth of thin superlattices for mid-IR detectors for room temperature operation.     

Atomically smooth interfaces of type-II InAs/GaSb superlattice on metamorphic GaSb buffer grown in 2D mode on GaAs substrate using MBE

In the paper, the comparative analysis of type-II InAs/GaSb SLs deposited on three types of GaSb buffers: homoepitaxial, metamorphic and one grown using the interfacial misfit (IMF) array technique has been presented. The buffer layers as well as superlattices were grown under nominally identical technological conditions. HRXRD investigations proved better crystal quality of the metamorphic material than the IMF-GaSb. FWHM_RC were equal to 156 arcsec and 196 arcsec, respectively. The surface roughness of about 1?ML and 4?MLs was obtained using the atomic force microscope for 4.0?μm–metamorphic GaSb and 1.5?μm-IMF-GaSb layers, respectively. The etch pits density for both buffers was similar, 1–2?×?10⁷?cm^?2. Superlattice with 500 periods deposited on the homoepitaxial buffer was used as a reference of the best crystal quality. HRTEM images revealed straight InAs/GaSb interfaces with 1?ML thicknesses in this sample. The interfaces in SL deposited on IMF-GaSb buffer were undulated and smeared over 3?MLs. The use of the metamorphic buffer resulted in 1–2?ML straight InAs/GaSb interfaces. The main reason for this is the roughness of IMF-GaSb buffer with mounds on the surface. Based on the obtained results we have demonstrated the advantage of metamorphic approach over IMF growth mode in GaSb/GaAs material system. A two times thicker buffer could be the price worth paying for high quality structures, even when working in the production mode.     

Interfaces in InAs/GaSb Superlattices Grown by Molecular Beam Epitaxy

Short period InAs（4ML）/GaSb（SML） superlattices （SLs） with InSb- and mixed-like （or Ga1-xInxAs1-ySby- like） interfaces （IFs） are grown by molecular-beam epitaxy （MBE） on （001） GaSh substrates at optimized growth temperature. Raman scattering reveals that two kinds of IFs can be formed by controlling shutter sequences. X-ray diffraction （XRD） and atomic force microscopy （AFM） demonstrate that SLs with mixed-like IFs are more sensitive to growth temperature than that with InSb-like IFs. The photoluminescence （PL） spectra of SLs with mixed-like IFs show a stronger intensity and narrower line width than with InSb-like IFs. It is concluded that InAs/GaSb SLs with mixed-like IFs have better crystalline and optical properties.     

低压MOCVD生长参量对Ⅱ型InAs/GaSb超晶格材料表面形貌的影响

采用自制低压金属有机源化学气相沉积设备,在（100）面GaSb单晶衬底上生长了Ⅱ型InAs/GaSb超晶格材料.利用双晶X射线衍射、光学显微镜、原子力显微镜和光致发光谱等分析手段对材料特性进行了表征,获得了表面光亮的晶体质量较好的Ⅱ型InAs/GaSb超晶格材料,在77 K下得到光致发光谱峰值波长为3.25 μm.研究了生长温度、过渡层、界面层对其表面形貌的影响,得出生长温度在500 ℃~520 ℃,无过渡层,使用InAsSb界面层有利于改善材料的表面形貌.     

InAs/GaSb superlattice focal plane arrays for high-resolution thermal imaging

The first fully operational mid-IR (3–5 μm) 256×256 IR-FPA camera system based on a type-II InAs/GaSb short-period superlattice showing an excellent noise equivalent temperature difference below 10 mK and a very uniform performance has been realized. We report on the development and fabrication of the detecor chip, i.e., epitaxy, processing technology and electro-optical characterization of fully integrated InAs/GaSb superlattice focal plane arrays. While the superlattice design employed for the first demonstrator camera yielded a quantum efficiency around 30%, a superlattice structure grown with a thicker active layer and an optimized V/III BEP ratio during growth of the InAs layers exhibits a significant increase in quantum efficiency. Quantitative responsivity measurements reveal a quantum efficiency of about 60% for InAs/GaSb superlattice focal plane arrays after implementing this design improvement. The paper presented there appears in Infrared Photoelectronics, edited by Antoni Rogalski, Eustace L. Dereniak, Fiodor F. Sizov, Proc. SPIE Vol. 5957, 595707 (2005).     

(InAs)1/(GaSb)1超晶格原子链的第一原理研究

利用第一原理平面波赝势法, 对(InAs)₁/(GaSb)₁超晶格原子链的原子结构、力学特性、电子能带结构、 声子结构和光学特性进行研究, 并结合密度泛函理论数值原子轨道赝势法和非平衡格林函数法计算量子输运特性. 与二维层结构的(InAs)₁/(GaSb)₁超晶格相比, (InAs)₁/(GaSb)₁超晶格原子链的能带结构有明显不同, 在某些情况下表现为金属能带特性. 对理想条件下(InAs)₁/(GaSb)₁ 超晶格原子链的力学强度计算表明, 该结构可承受的应变高达 ε=0.19. 通过对声子结构的完整布里渊区分析, 研究了(InAs)₁/(GaSb)₁超晶格原子链的结构稳定性. 对两端接触电极为Al纳米线的InAs/GaSb超晶格原子链的电子输运特性计算表明, 电导随链长和应变的改变而发生非单调变化.光吸收谱的计算结果表现出在红外波段具有陡峭吸收边, 截止波长随超晶格原子链的结构而变化.预计InAs/GaSb超晶格原子链可应用于红外光电子纳米器件, 通过改变超晶格原子链的结构来调节光电响应波段.     

InAs/(GaIn)Sb superlattices for IR optoelectronics: Strain optimization by controlled interface formation

The structural properties of InAs/(GaIn)Sb and (InGa)As/GaSb superlattices (SLs), grown by solid-source molecular-beam epitaxy on GaAs substrates using a strain relaxed GaSb or InAs buffer layer or directly on InAs substrates, were analyzed by high-resolution X-ray diffraction and Raman spectroscopy. The residual strain within the SL was found to depend critically on the type of interface bonds, which can be either InSb- or GaAs-like. Thus, to achieve lattice matching to the buffer layer or substrate by strain compensation within the SL stack, the controlled formation of the interface bonds is vital. On the other hand, minimization of the residual strain is shown to be a prerequisite for achieving a high photoluminescence yield and high responsivities for InAs/(GaIn)Sb SL based IR detectors.     

Dark current analysis of InAs/GaSb superlattices at low temperatures

A limitation to the advancement of the strained-layer superlattice technology for infrared detection is unwanted high dark currents and low R₀A values, especially at long-wavelengths. In this paper, we discuss dark current characteristics of LWIR InAs/GaSb type-II superlattice detectors. Comparing devices with different dominant mechanisms, a more thorough analysis at low temperatures is provided.     

Antimonide type-II “W” lasers: growth studies and guided-mode leakage into substrate

The lasing characteristics of mid-IR type-II “W” [InAs/GaInSb/InAs/AlAsSb] structures are found to correlate strongly with the growth conditions and low-temperature photoluminescence (PL) properties. The highest PL intensities and narrowest PL lines are obtained when the wafers are grown at ≈480–510°C with mixed interface bonds. A number of structures grown at a non-optimal lower temperature (≈425°C) nonetheless yielded lower lasing thresholds, lower internal losses, and longer Shockley-Read lifetimes than any grown previously on the present Riber 32P MBE system. All of the laser spectra display regularly-spaced multiple peaks that are consistent with periodic modulation of the cavity loss due to mode-leakage into the GaSb substrate.     

Growth and electrical characterization of type II InAs/GaSb superlattices for midwave infrared detection

Herein, we report a type II InAs/GaSb superlattice structure (SLS) grown on GaSb(1 0 0) substrates by molecular beam epitaxy (MBE) and its electrical characterization for mid-wavelength infrared detection. A GaSb buffer layer was grown under optimized SLS growth conditions, which can decrease the occurrence of defects for similar pyramidal structures. The complications associated with these conditions include oxide desorption of the substrate, growth temperature of the SLS, the V/III ratio during superlattice growth and the shutter sequence. High-resolution X-ray diffraction (HRXRD) shows the sixth satellite peak, and the period of the SLS was 52.9 Å. The atomic force microscopy (AFM) images indicated that the roughness was less than 2.8 nm. High-resolution transmission electron microscopy (HRTEM) images indicated that the SLS contains few structural defects related to interface dislocations or strain relaxation during the growth of the superlattice layer. The photoresponse spectra indicated that the cutoff wavelength was 4.8 μm at 300 K. The SLS photodiode surface was passivated by a zinc sulfide (ZnS) coating after anodic sulfide.     

Characterization of LWIR diodes on InAs/GaSb Type-II superlattice material

Long wavelength infrared (LWIR) focal plane arrays (FPAs) built on Type-II strained layer InAs/GaSb superlattice materials are emerging as an alternative to LWIR HgCdTe. We have made progress in the development of this technology in a collaborative effort between Raytheon Vision Systems and Jet Propulsion Laboratory, resulting in successful devices with LWIR cutoff wavelengths. We report here two investigations related to wafer processing and superlattice material characteristics. The critical interface between the superlattice and the silicon dioxide passivation was examined at the atomic scale by high resolution transmission electron microscopy (HRTEM), showing a conformal coating on an InAs/GaSb mesa sidewall, which undulates with the superlattice periodicity due to differential etching. Electron energy loss spectroscopy (EELS) showed that oxides of the superlattice elements were present but minimal, and some occasional arsenic precipitates were observed at the passivation interface. Our previous analysis of the current–voltage curves was extended further to reveal the minority carrier lifetimes responsible for producing the generation–recombination (GR) and the diffusion dark currents. Lifetimes at 78 K were found to be 6 and 20 ns in the GR and diffusion processes, respectively. Lifetimes from both mechanisms track together with temperature. A HgCdTe diode was analyzed in the same manner for comparison.     

Growth of high material quality InAs/GaSb type-II superlattice for long-wavelength infrared range by molecular beam epitaxy

By optimizing the V/III beam-equivalent pressure ratio, a high-quality InAs/GaSb type-II superlattice material for the long-wavelength infrared (LWIR) range is achieved by molecular beam epitaxy (MBE). High-resolution x-ray diffraction (HRXRD), atomic force microscopy (AFM), and Fourier transform infrared (FTIR) spectrometer are used to characterize the material growth quality. The results show that the full width at half maximum (FWHM) of the superlattice zero-order diffraction peak, the mismatching of the superlattice zero-order diffraction peak between the substrate diffraction peaks, and the surface roughness get the best results when the beam-equivalent pressure (BEP) ratio reaches the optimal value, which are 28 arcsec, 13 arcsec, and 1.63 Å, respectively. The intensity of the zero-order diffraction peak is strongest at the optimal value. The relative spectral response of the LWIR detector shows that it exhibits a 100% cut-off wavelength of 12.6 μm at 77 K. High-quality epitaxial materials have laid a good foundation for preparing high-performance LWIR detector.     

1/f Noise modeling of InAs/GaSb superlattice mid-wavelength infrared detectors

The empirical 1/f noise model for p\(^{+}\)-p-n infrared detector made of type-II InAs/GaSb superlattice material is presented. It is shown that 1/f noise magnitude can be accurately estimated if dark current contributions are determined and noise coefficients are known. It is found that the shunt, the bulk generation–recombination, and the trap-assisted tunneling currents contribute to the total 1/f noise. No 1/f noise connected with the diffusion and the band-to-band tunneling currents is observed.     

InAs/GaSb superlattice infrared detectors

Future heterojunction InAs/GaSb superlattice (SL) detector devices in the long-wavelength infrared regime (LWIR, 8–12 μm) require an accurate bandstructure model and a successful surface passivation. In this study, we have validated the superlattice empirical pseudopotential method developed by Dente and Tilton over a wide range of bandgap energies. Furthermore, dark current data for a novel dielectric surface passivation for LWIR devices is presented. Next, we present a technique for high-resolution, full-wafer mapping of etch pit densities on commercial (1 0 0) GaSb substrates, which allows to study the local correlation between threading dislocations in the substrate and the electro-optical pixel performance. Finally, recent performance data for 384 × 288 dual-color InAs/GaSb superlattice imagers for the mid-wavelength infrared (MWR, 3–5 μm) is given.