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At least 19 records

Electronic Characterization of Defects in Narrow Gap Semiconductors-Comparison of Electronic Energy Levels and Formation Energies in Mercury Cadmium Telluride, Mercury Zinc Telluride, and Mercury Zinc Selenide

We have used a Green's function technique to calculate the energy levels and formation energy of deep defects in the narrow gap semiconductors mercury cadmium telluride (MCT), mercury zinc telluride (MZT) and mercury zinc selenide (MZS). The formation energy is calculated from the difference between the total energy with an impurity cluster and the total energy for the perfect crystal. Substitutional (including antisite), interstitial (self and foreign), and vacancy deep defects are considered. Relaxation effects are calculated (with molecular dynamics). By use of a pseudopotential, we generalize the ideal vacancy model so as to be able to consider relaxation for vacancies. Different charge states are considered and the charged state energy shift (as computed by a modified Haldane-Anderson model) can be twice that due to relaxation. Different charged states for vacancies were not calculated to have much effect on the formation energy. For all cases we find deep defects in the energy gap only for cation site s-like orbitals or anion site p-like orbitals, and for the substitutional case only the latter are appreciably effected by relaxation. For most cases for MCT, MZT, MZS, we consider x (the concentration of Cd or Zn) in the range appropriate for a band gap of 0.1 eV. For defect energy levels, the absolute accuracy of our results is limited, but the precision is good, and hence chemical trends are accurately predicted. For the same reason, defect formation energies are more accurately predicted than energy level position. We attempt, in Appendix B, to calculate vacancy formation energies using relatively simple chemical bonding ideas due to Harrison. However, these results are only marginally accurate for estimating vacancy binding energies. Appendix C lists all written reports and publications produced for the grant. We include abstracts and a complete paper that summarizes our work which is not yet available.

Patterson, James D.↗

Electronic characterization of defects in narrow gap semiconductors: Comparison of electronic energy levels and formation energies in mercury cadmium telluride, mercury zinc telluride, and mercury zinc selenide

The project has evolved to that of using Green's functions to predict properties of deep defects in narrow gap materials. Deep defects are now defined as originating from short range potentials and are often located near the middle of the energy gap. They are important because they affect the lifetime of charge carriers and hence the switching time of transistors. We are now moving into the arena of predicting formation energies of deep defects. This will also allow us to make predictions about the relative concentrations of the defects that could be expected at a given temperature. The narrow gap materials mercury cadmium telluride (MCT), mercury zinc telluride (MZT), and mercury zinc selenide (MZS) are of interest to NASA because they have commercial value for infrared detecting materials, and because there is a good possibility that they can be grown better in a microgravity environment. The uniform growth of these crystals on earth is difficult because of convection (caused by solute depletion just ahead of the growing interface, and also due to thermal gradients). In general it is very difficult to grow crystals with both radial and axial homogeneity.

Patterson, James D.↗

Ion beam sputter deposited zinc telluride films

Zinc telluride is of interest as a potential electronic device material, particularly as one component in an amorphous superlattice, which is a new class of interesting and potentially useful materials. Some structural and electronic properties of ZnTe films deposited by argon ion beam sputter depoairion are described. Films (up to 3000 angstroms thick) were deposited from a ZnTe target. A beam energy of 1000 eV and a current density of 4 mA/sq. cm. resulted in deposition rates of approximately 70 angstroms/min. The optical band gap was found to be approximately 1.1 eV, indicating an amorphous structure, as compared to a literature value of 2.26 eV for crystalline material. Intrinsic stress measurements showed a thickness dependence, varying from tensile for thicknesses below 850 angstroms to compressive for larger thicknesses. Room temperature conductivity measurement also showed a thickness dependence, with values ranging from 1.86 x to to the -6/ohm. cm. for 300 angstrom film to 2.56 x 10 to the -1/ohm. cm. for a 2600 angstrom film. Measurement of the temperature dependence of the conductivity for these films showed complicated behavior which was thickness dependent. Thinner films showed at least two distinct temperature dependent conductivity mechanisms, as described by a Mott-type model. Thicker films showed only one principal conductivity mechanism, similar to what might be expected for a material with more crystalline character.

Gulino, D. A.↗

Ion beam sputter deposited zinc telluride films

Zinc telluride is of interest as a potential electronic device material, particularly as one component in an amorphous superlattice, which is a new class of interesting and potentially useful materials. Some structural and electronic properties of ZnTe films deposited by argon ion beam sputter deposition are described. Films (up to 3000 angstroms thick) were deposited from a ZnTe target. A beam energy of 1000 eV and a current density of 4 mA/sq cm resulted in deposition rates of approximately 70 angstroms/min. The optical band gap was found to be approximately 1.1 eV, indicating an amorphous structure, as compared to a literature value of 2.26 eV for crystalline material. Intrinsic stress measurements showed a thickness dependence, varying from tensile for thicknesses below 850 angstroms to compressive for larger thicknesses. Room temperature conductivity measurement also showed a thickness dependence, with values ranging from 1.86 x 10 to the -6th/ohm cm for 300 angstrom film to 2.56 x 10 to the -1/ohm cm for a 2600 angstrom film. Measurement of the temperature dependence of the conductivity for these films showed complicated behavior which was thickness dependent. Thinner films showed at least two distinct temperature dependent conductivity mechanisms, as described by a Mott-type model. Thicker films showed only one principal conductivity mechanism, similar to what might be expected for a material with more crystalline character.

Gulino, D. A.↗

Overcoming Mobility Lifetime Product Limitations in Vertical Bridgman Production of Cadmium Zinc Telluride Detectors

Cadmium zinc telluride (CZT) possesses excellent material properties for a wide range of applications where room temperature operability, durability, and high efficiency are required. However, because CZT is a challenging material to produce in useful quantities, the growth and fabrication costs have remained high, creating an economic challenge for vendors. While the traveling heater method (THM) is the predominant means of commercial CZT crystal growth, the Vertical Bridgman method (VB) is an attractive alternative due to its relatively fast growth rate. However, VB grown CZT has yet to compete with THM grown CZT, particularly in terms of charge collection efficiencies, where the charge collection efficiency is characterized by the single carrier electron mobility lifetime (μτ e ) product. Despite efforts to overcome this discrepancy, the μτe product in VB grown CZT has remained an order of magnitude lower than THM. Eliminating this difference would bring VB one step closer to outpacing THM in terms of economic feasibility. This paper discusses the development of a unique technique that combines the advantages of both growth methods to better understand this discrepancy and the underlying mechanisms behind it. CZT ingots were grown from melt via VB with highly off-stoichiometric concentrations of tellurium (Te). Melt mixing via accelerated crucible rotation (ACRT) was applied to compensate for any negative effects associated with off-stoichiometry, i.e. flux inclusions. CZT material has been produced at growth rates commensurate with VB (1 ingot/week) and with charge collection efficiencies commensurate with THM (mid 10 -2 cm 2 /V) in long bars typical of commercial applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Validation of early image acquisitions following Tc-99 m sestamibi injection using a semiconductors camera of cadmium-zinc-telluride

Background: Cadmium-zinc-telluride (CZT) cameras allow to decrease significantly the acquisition time of myocardial perfusion imaging (MPI), but the duration of the examination is still long. Therefore, this study was performed to test the feasibility of early imaging following injection of Tc-99 m sestamibi using a CZT camera. Methods: Seventy patients underwent both an early and a delayed image acquisition after exercise stress test (n = 30), dipyridamole stress test (n = 20), and at rest (n = 20). After injection of Tc-99 m sestamibi, the early image acquisition started on average within 5 minutes for the exercise and rest groups, and 3 minutes 30 seconds for the dipyridamole group. Two independent observers evaluated image quality and extracardiac uptake on four-point scales. The difference between early and later images for each patient was scored on a five-point scale. Results: The image quality and extracardiac uptake of early and delayed image acquisitions were not different for the three groups (P > .05). There was no significant difference between early and delayed image acquisitions in the exercise, dipyridamole, and rest groups, respectively, in 63%, 40%, and 80% of cases. In the exercise group and rest group, a defect was only present in early MPI, respectively, in 13% and 20% of cases. A defect was only present in delayed images in 10% of cases in the exercise group and in 45% of cases in the dipyridamole group. Conclusions: There was no difference between early and later image acquisitions in terms of quality. This protocol reduces the length of the procedure for the patient. Beginning with early image acquisitions may help to overcome the artifacts that are observed at the delayed time.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Uranium measurements in the field using high-resolution cadmium zinc telluride detectors

A new generation of cadmium zinc telluride (CZT) detectors has become available and is being evaluated by the International Atomic Energy Agency (IAEA) for safeguards verifications in the field. The new CZT detector, model M400, is a room temperature spectrometer manufactured by H3D, Inc. The M400 demonstrates superior energy resolution, effective isotope identification capabilities, and convenient usability features when tested in a controlled laboratory environment. These characteristics define the M400 as a potential platform for IAEA field detection applications, which could become suitable for nuclear material characterization (e.g., enrichment verification) and nuclear safeguards missions. The capabilities of gamma spectrometry codes including Fixed energy, Response function Analysis with Multiple efficiencies (FRAM) from Los Alamos National Laboratory, CZT for Uranium (CZTU) from Lawrence Livermore National Laboratory, and Gamma Detector Response and Analysis Software (GADRAS) from Sandia National Laboratories were adapted for M400 spectra, and the performance of the codes has been validated. This was reported in a prior work. To further validate the performance of the high-energy resolution CZT detector and the isotopic analysis codes, a field measurement campaign consisting of uranium hexafluoride (UF 6 ) cylinder measurements was conducted at a fuel fabrication facility. A total of 34 Type 30B cylinders containing UF6 were measured using three different M400 CZT detectors. Each detector was outfitted with a custom rectangular collimator and shield made out T-Flex®, a tungsten-impregnated polymer. Measurements were performed at three different locations of the cylinder, ensuring that the measurement geometry satisfied the infinite thickness criterion. The spectra from the M400 CZT were analyzed using the code General Enrichment Meter (GEM). For analyzing the gamma-ray spectra from UF 6 cylinder, the GEM code is the appropriate tool since it relies only on the gamma-ray emissions from 235 U and not from other isotopes. Results from the spectral analysis were compared with the known abundance of 235 U in the cylinders, as well as with the International Target Values 2020 (ITV2020). The suitability of the different underlying techniques used by the various codes for UF 6 analysis is discussed. The challenges of measuring UF 6 contained in cylinders and mitigation strategies are highlighted.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effects of Selenium Doping in Zinc Telluride from First Principles

We report point defects and compensation in zinc telluride have been subjects of study for several decades due to the compound’s scientific/technological applications. Despite this, there remains some disagreement in the literature as to the fine details of its defect chemistry. Recently, it has also come under renewed interest due to the emerging Cd( 1–x )Zn x Te( 1–y )Se y material family, used in nuclear radiation detector applications. In this article, we use state-of-the-art computational tools to re-examine the native defect chemistry of ZnTe and explore how it changes upon addition of selenium using density functional theory with screened hybrid exchange–correlation functionals, thermochemical models of the equilibration environment, and statistical mechanics models of the point defect ensemble.

II-VI semiconductors↗

Correlation Between Bulk Material Defects and Spectroscopic Response in Cadmium Zinc Telluride Detectors

One of the critical challenges for large area cadmium zinc telluride (CdZnTe) detector arrays is obtaining material capable of uniform imaging and spectroscopic response. Two complementary nondestructive techniques for characterizing bulk CdZnTe have been developed to identify material with a uniform response. The first technique, infrared transmission imaging, allows for rapid visualization of bulk defects. The second technique, x-ray spectral mapping, provides a map of the material spectroscopic response when it is configured as a planar detector. The two techniques have been used to develop a correlation between bulk defect type and detector performance. The correlation allows for the use of infrared imaging to rapidly develop wafer mining maps. The mining of material free of detrimental defects has the potential to dramatically increase the yield and quality of large area CdZnTe detector arrays.

Parker, Bradford H.↗

Evaluation of DAST and zinc telluride nonlinear crystals for efficient terahertz generation

Terahertz (THz) signal is generated from 4-N, N-dimethylamino-4’-N’-methyl-stilbazolium tosylate (i.e. DAST Crystal) and Zinc telluride (ZnTe) nonlinear crystals by employing 140 fs laser pulses at 800 nm with 80 MHz repetition rate. The semi insulating gallium arsenide photoconductive stripline antennas (gap =5 µm, length = 20 µm) is used as a Terahertz detector. The detected temporal profile of Terahertz radiation generated from DAST crystal is high as compared to ZnTe crystal in terms of amplitude. THz effective bandwidths of these crystals are extended up to 1.1 THz range. The potential of THz generation of DAST and ZnTe crystals are evaluated with respect to incident laser power.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Experimental Study of an Easily Controlled Ultra-High-Resolution Pixel-Matched Parallel-Hole Collimator with a Small Cadmium Zinc Telluride Pixelated Gamma Camera System

The aim of this study was to develop an easily controlled, ultra-high-resolution, tungsten parallel-hole collimator based on a small pixelated gamma camera system. A small cadmium zinc telluride (CZT) pixelated semiconductor detector (eValuator-2500 detector [eV product, Saxonburg, PA]) was evaluated. This detector is composed of an array of 51.2 × 0.8 × 3-mm{sup 3} individual CZT crystal elements. The ultra-high-resolution, pixel-matched, parallel-hole collimators consisted of six layers, with the same between the hole and pixel size. The basic characteristics of the imaging system, such as sensitivity and spatial resolution, was measured using a {sup 57}Co point source. The measured averages of sensitivity and spatial resolution varied depending on the septal heights of the ultra-high-resolution parallel-hole collimator and source-to-collimator distances. When the 30-mm septal height was at 1-cm source-to-collimator distance, the spatial resolution was approximately 0.85 mm. Using 5-mm septal height, over 0.3 cps/kBq sensitivity was achieved. One advantage of our system is the use of stacked collimators that can select the best combination of system sensitivity and spatial resolution. Our results demonstrated that the developed CZT–pixelated gamma camera system using an ultra-high-resolution parallel-hole collimator of various collimator geometric designs has potential as an effective instrument.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Charge Loss and Charge Sharing Measurements for Two Different Pixelated Cadmium-Zinc-Telluride Detectors

As part of ongoing research at Marshall Space Flight Center, Cadmium-Zinc- Telluride (CdZnTe) pixilated detectors are being developed for use at the focal plane of the High Energy Replicated Optics (HERO) telescope. HERO requires a 64x64 pixel array with a spatial resolution of around 200 microns (with a 6m focal length) and high energy resolution (< 2% at 60keV). We are currently testing smaller arrays as a necessary first step towards this goal. In this presentation, we compare charge sharing and charge loss measurements between two devices that differ both electronically and geometrically. The first device consists of a 1-mm-thick piece of CdZnTe that is sputtered with a 4x4 array of pixels with pixel pitch of 750 microns (inter-pixel gap is 100 microns). The signal is read out using discrete ultra-low-noise preamplifiers, one for each of the 16 pixels. The second detector consists of a 2-mm-thick piece of CdZnTe that is sputtered with a 16x16 array of pixels with a pixel pitch of 300 microns (inter-pixel gap is 50 microns). Instead of using discrete preamplifiers, the crystal is bonded to an ASIC that provides all of the front-end electronics to each of the 256 pixels. what degree the bias voltage (i.e. the electric field) and hence the drift and diffusion coefficients affect our measurements. Further, we compare the measured results with simulated results and discuss to

Gaskin, Jessica↗

Impact of selenium addition to the cadmium-zinc-telluride matrix for producing high energy resolution X-and gamma-ray detectors

Abstract Both material quality and detector performance have been steadily improving over the past few years for the leading room temperature radiation detector material cadmium-zinc-telluride (CdZnTe). However, although tremendous progress being made, CdZnTe still suffers from high concentrations of performance-limiting defects, such as Te inclusions, networks of sub-grain boundaries and compositional inhomogeneity due to the higher segregation coefficient of Zn. Adding as low as 2% (atomic) Se into CdZnTe matrix was found to successfully mitigate many performance-limiting defects and provide improved compositional homogeneity. Here we report record-high performance of Virtual Frisch Grid (VFG) detector fabricated from as-grown Cd 0.9 Zn 0.1 Te 0.98 Se 0.02 ingot grown by the Traveling Heater Method (THM). Benefiting from superior material quality, we achieved superb energy resolution of 0.77% at 662 keV (as-measured without charge-loss correction algorithms) registered at room temperature. The absence of residual thermal stress in the detector was revealed from white beam X-ray topographic images, which was also confirmed by Infra-Red (IR) transmission imaging under cross polarizers. Furthermore, neither sub-grain boundaries nor their networks were observed from the X-ray topographic image. However, large concentrations of extrinsic impurities were revealed in as-grown materials, suggesting a high likelihood for further reduction in the energy resolution after improved purification of the starting material.

36 MATERIALS SCIENCE↗

Characterization of a 2-mm thick, 16x16 Cadmium-Zinc-Telluride Pixel Array

The detector under study is a 2-mm-thick, 16x16 Cadmium-Zinc-Telluride pixel array with a pixel pitch of 300 microns and inter-pixel gap of 50 microns. This detector is a precursor to that which will be used at the focal plane of the High Energy Replicated Optics (HERO) telescope currently being developed at Marshall Space Flight Center. With a telescope focal length of 6 meters, the detector needs to have a spatial resolution of around 200 microns in order to take full advantage of the HERO angular resolution. We discuss to what degree charge sharing will degrade energy resolution but will improve our spatial resolution through position interpolation. In addition, we discuss electric field modeling for this specific detector geometry and the role this mapping will play in terms of charge sharing and charge loss in the detector.

Gaskin, Jessica↗

Characterization of Pixelated Cadmium-Zinc-Telluride Detectors for Astrophysical Applications

Comparisons of charge sharing and charge loss measurements between two pixelated Cadmium-Zinc-Telluride (CdZnTe) detectors are discussed. These properties along with the detector geometry help to define the limiting energy resolution and spatial resolution of the detector in question. The first detector consists of a 1-mm-thick piece of CdZnTe sputtered with a 4x4 array of pixels with pixel pitch of 750 microns (inter-pixel gap is 100 microns). Signal readout is via discrete ultra-low-noise preamplifiers, one for each of the 16 pixels. The second detector consists of a 2-mm-thick piece of CdZnTe sputtered with a 16x16 array of pixels with a pixel pitch of 300 microns (inter-pixel gap is 50 microns). This crystal is bonded to a custom-built readout chip (ASIC) providing all front-end electronics to each of the 256 independent pixels. These detectors act as precursors to that which will be used at the focal plane of the High Energy Replicated Optics (HERO) telescope currently being developed at Marshall Space Flight Center. With a telescope focal length of 6 meters, the detector needs to have a spatial resolution of around 200 microns in order to take full advantage of the HERO angular resolution. We discuss to what degree charge sharing will degrade energy resolution but will improve our spatial resolution through position interpolation.

Gaskin, Jessica↗

Analysis of the accelerated crucible rotation technique applied to the gradient freeze growth of cadmium zinc telluride

Here we employ finite-element modeling to assess the effects of the accelerated crucible rotation technique (ACRT) on cadmium zinc telluride (CZT) crystals grown from a gradient freeze system. Via consideration of tellurium segregation and transport, we show, for the first time, that steady growth from a tellurium-rich melt produces persistent undercooling in front of the growth interface, likely leading to morphological instability. The application of ACRT rearranges melt flows and tellurium transport but, in contrast to conventional wisdom, does not altogether eliminate undercooling of the melt. Rather, a much more complicated picture arises, where spatio-temporal realignment of undercooled melt may act to locally suppress instability. A better understanding of these mechanisms and quantification of their overall effects will allow for future growth optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗