CdTe Crystals Research Articles

Nonlinear dispersion of backward-wave four-wave mixing in a photorefractive semiconductor and its effect on group velocity

Photorefractive backward-wave four-wave mixing may be configured for the amplification of the phase conjugate output and the attenuation of the transmitted output. The nondegenerate-in-frequency interaction is studied in such a configuration, realized in a semiconductor CdTe crystal. The spectra measured at different outputs show the gain and attenuation resonances. The preliminary study of optical pulse propagation demonstrates that, due to different nonlinear dispersions at different outputs of the selected wave mixing configuration, a slowing down of light is observed at the phase conjugate output, while an acceleration of light is detected at the transmitted output for the same input pulse at the same interaction.

Combined X-ray Diffraction Analysis and Quantum Chemical Interpretation of the Effect of Thermal Neutrons on the Geometry and Electronic Properties of CdTe

Objective: Substantiation of the result of the interaction of thermal neutrons with CdTe crystals by quantum-chemical methods and comparison of the experimental results with the results of quantum-chemical calculations. Methods: Single crystal samples of cadmium telluride (CdTe) were obtained by a modified Bridgman method. The plates cut from the single crystal were subjected to mechanical grinding with abrasive paper of the type P1,200-P4,000, mechanical polishing with silver paste. To clean the surface of the plate from contamination, it was washed in ethyl alcohol. In the experimental part of the work, the influence of low thermal neutron fluxes on the structural parameters of CdTe was studied. The samples were irradiated with a thermal neutron flux in the range from 2.64×107 neutron/cm2 to 1.85×109 neutron/cm2. To study the structure of CdTe crystals, the method of X-ray structural analysis was used, using a DRON-3 X-ray diffractometer. In the second part of the work, computer modeling of the process of interaction of thermal neutrons on CdTe crystals was carried out. Results: X-ray diffraction analysis of the crystals showed that as a result of irradiation with low thermal neutron fluxes, the structural parameters of CdTe improve, as evidenced by the ordering of the crystallites. In addition, in this region of the thermal neutron flux the resistance of the crystals decreases. Conclusion: Calculations of the crystal lattice parameters of CdTe are in good agreement with experimental data. The electronic and optical properties of CdTe have been studied. A decrease in the band gap after irradiation with thermal neutrons has been shown.

Defect structure of high-resistance CdTe:Cl single crystals and MoOx/CdTe:Cl/MoOx heterostructures according to the data of high-resolution X-ray diffractometry

Clorine doped CdTe single crystals (CdTe:Cl) were grown by the traveling heater method. MoO x /CdTe:Cl/MoO x films were deposited using the reactive magnetron sputtering technique. The defect structure of the obtained single crystals and heterostructures was investigated using high-resolution X-ray diffractometry. The optimized models of dislocation systems in the CdTe:Cl single crystals were constructed based on the Thompson tetrahedron. The distribution of the intensity of diffracted X-rays as a function of reciprocal space coordinates and rocking curves was analyzed using the kinematic theory of X-ray scattering in real crystals. The experimental and theoretically predicted values of the helical dislocation densities in the CdTe:Cl and MoO x /CdTe:Cl crystals with perfect and mosaic structures were compared. Two-fold increase in the dislocation concentration in the MoO x /CdTe:Cl heterostructures as a result of compression deformations of the CdTe:Cl crystal lattice was found. The ~0.1 μm thick transition deformed layer at the boundary between the MoO x film and CdTe:Cl single crystal significantly affects the electrical and spectroscopic properties of the obtained systems as the materials for γ-radiation detection.

Band Gap Engineering in Ultimately Thin Slabs of CdTe with Different Layer Stackings

Ultrathin solid slabs often have properties different from those of the bulk phase. This effect can be observed both in traditional three-dimensional materials and in van der Waals (vdW) solids in the few monolayer limit. In the present work, the band gap variation of the CdTe slabs, induced by their thickness, was studied by the density functional theory (DFT) method for the sphalerite (zinc-blende) phase and for the recently proposed inverted phase. The sphalerite phase has the Te–Cd–Te–Cd atomic plane sequence, while in the inverted phase Cd atoms are sandwiched by Te planes forming vdW blocks with the sequence Te–Cd–Cd–Te. Based on these building blocks, a bulk vdW CdTe crystal was built, whose thermodynamical stability was verified by DFT calculations. Band structures and partial densities of states for sphalerite and inverted phases were calculated. It was demonstrated for both phases that using slabs with a thickness of one to several monolayers for sphalerite phase (vdW blocks for inverted phase), structures with band gaps varying in a wide range can be obtained. The presented results allow us to argue that ultrathin CdTe can be a promising electronic material.

Comprehensive Review on CdTe Crystals: Growth, Properties, and Photovoltaic Application

Comprehensive Review on CdTe Crystals: Growth, Properties, and Photovoltaic Application

Contributions to the development of crystal growth technologies

An overview of selected contributions to the development of crystal growth technology of the Laudise Prize awardee 2023 is presented. First some results on shaped crystal growth are given, such as layers with eutectic periodic structures, casting of high-resistivity CdTe sheets, growth of in situ core doped laser rods by double die EFG, and Czochralski growth of Si crystals with rectangular cross section. Then the correlation between melt structure and quality of II-VI crystals showing high bond ionicity is discussed. The importance of marked melt overheating for growth of high-quality CdTe and (Cd,Zn)Te crystals is derived. Also the in situ stoichiometry control for reducing intrinsic point defects, precipitates and inclusions is demonstrated by the examples of Bridgman and VGF CdTe growth with Cd extra source and vapor pressure controlled Czochralski method of 6 inch GaAs crystals. Next, the reason and general appearance of dislocation cell patterns in all growing thermomechanical stressed crystals and their possible prevention are explained. The contribution of point defect diffusion for dislocation climb at high temperatures to form globular cells is underlined. Finally, melt growth experiments under travelling magnetic field (TMF) generated in coil-shaped heater-magnet modules around the crucibles are discussed. The importance of global numeric modeling for optimization the TMF convection mode in the melt is accentuated. It is shown that the growing interface can be levelled, the solution flux at vertical liquid phase epitaxy can be homogenized, and the IR transmission and minority carrier live time in 640 kg mc-Si ingots for photovoltaics can be markedly enhanced and homogenize by such external field application. The close cooperation between academics, engineers and industry is particularly emphasized.

Wavelength scaling of high harmonic yields and cutoff energies in solids driven by mid-infrared pulses.

The effect of driving wavelengths on high harmonic generation (HHG) have long been a fundamental research topic. However, despite of abundant efforts, the investigation of wavelength scaling of HHG in solids is still confined within the scope of theoretical predictions. In this work, we for the first time to the best of our knowledge, experimentally reveal wavelength scaling of HHG yields and cutoff energy in three typical solid media (namely pristine crystals GaSe, CdTe and polycrystalline ZnSe), driven in a broad mid-infrared (MIR) range from 4.0 to 8.7 µm. It is revealed that when the driving wavelength is shorter than 6.5-7.0 µm, HHG yields decrease monotonously with the MIR driving wavelengths, while they rise abruptly by 1-3 orders of magnitude driven at longer wavelength and exhibit a crest at 7.5 µm. In addition, the cutoff energies are found independent on driving wavelengths across the broad MIR pump spectral range. We propose that the interband mechanism dominates the HHG process when the driving wavelength is shorter than 6.5-7.0 µm, and as the driving wavelength increases, intraband contribution leads to an abrupt rise of the HHG yields, which is verified by the HHG polarization measurement driven at 3.0 and 7.0 µm. This work not only experimentally demonstrate the wavelength scaling of HHG in solids, but more importantly blazes the trail for optimizing the HHG performance by choosing a driving wavelength and provides experimental method to distinguish the interband and intraband dynamics.

Response characteristics of MAPbBr3 direct conversion X-ray detectors based on measurements and Monte Carlo simulation

In recent years, higher requirements have been placed on the response characteristics of X-ray detectors in the field of medical diagnostic imaging. Due to this, high sensitivity, high attenuation coefficient and low cost detection materials need to be developed. In this paper, the geometric model of a detector was established by Geant4 code. The absorption efficiency and mass attenuation coefficient of MAPbBr3 crystals were calculated in the energy range of 30 keV to 100 keV. Compared with the mass attenuation coefficient of the NIST database, the deviation was within 1.39%. The signal charge number and detection sensitivity of the X-ray interaction with the MAPbBr3 crystal ware calculated. Compared with the CdTe crystal and α-Se, the MAPbBr3 crystal still had a larger detection sensitivity under a smaller applied electric field, which was approximately 9 times higher than that of α-Se. This result indicated that the detection sensitivity could be greatly improved by using a high atomic number and high charge mobility-lifetime product. Based on the simulation results, the 2 mm thick MAPbBr3 crystal exhibited the highest detection sensitivity at 60 keV X-rays, which was in agreement with the experimental results.

Modelling Polarization Effects in a CdZnTe Sensor at Low Bias.

Semi-insulating CdTe and CdZnTe crystals fabricated into pixelated sensors and integrated into radiation detection modules have demonstrated a remarkable ability to operate under rapidly changing X-ray irradiation environments. Such challenging conditions are required by all photon-counting-based applications, including medical computed tomography (CT), airport scanners, and non-destructive testing (NDT). Although, maximum flux rates and operating conditions differ in each case. In this paper, we investigated the possibility of using the detector under high-flux X-ray irradiation with a low electric field satisfactory for maintaining good counting operation. We numerically simulated electric field profiles visualized via Pockels effect measurement in a detector affected by high-flux polarization. Solving coupled drift-diffusion and Poisson's equations, we defined the defect model, consistently depicting polarization. Subsequently, we simulated the charge transport and evaluated the collected charge, including the construction of an X-ray spectrum on a commercial 2-mm-thick pixelated CdZnTe detector with 330 µm pixel pitch used in spectral CT applications. We analyzed the effect of allied electronics on the quality of the spectrum and suggested setup optimization to improve the shape of the spectrum.

Tunable phase-mismatched mid-infrared difference-frequency generation between 6 and 17 µm in CdTe.

In parametric conversion, phase-matching techniques such as birefringence and quasi phase-matching (PM) with the designed crystal angle or periodically poled polarities are employed to fulfill the requirement of momentum conservation. However, directly using phase-mismatched interactions in nonlinear media with large quadratic nonlinear coefficient remains unheeded. Here, for the first time to the best of our knowledge, we study the phase-mismatched difference-frequency generation (DFG) in an isotropic cadmium telluride (CdTe) crystal, with the comparison of other DFG processes based on birefringence-PM, quasi-PM, and random-quasi-PM. Long-wavelength mid-infrared (LWMIR) phase-mismatched DFG with an ultra-broadband spectral tuning range of 6-17 µm based on CdTe is demonstrated. Thanks to the giant quadratic nonlinear coefficient (∼109 pm/V) and good figure of merit in the parametric process, the output power up to 100 µW is obtained, which is comparable to or even better than the DFG output from a polycrystalline ZnSe with the same thickness facilitated by random-quasi-PM. A proof-of-concept demonstration in gas sensing of CH4 and SF6 is conducted based on the phase-mismatched DFG as a typical application. Our results demonstrate the feasibility of phase-mismatched parametric conversion in producing useful LWMIR power and ultra-broadband tunability in a simple and convenient way without the necessity of controlling the polarization, phase-matching angle, or pole periods, which could find applications in the fields of spectroscopy and metrology.

2D reciprocal space map of etched metalorganic chemical vapor deposited CdTe(001) film surface on miscut GaAs(001)

CdTe thin films have drawn continued interest in research and applications in various fields such as optoelectronics. We report on the study of a two-dimensional (2D) reciprocal space map of Br-methanol etched CdTe(001) epitaxial film grown by metalorganic chemical vapor deposition on miscut GaAs(001) using azimuthal reflection high-energy electron diffraction (ARHEED), which reveals a two-fold symmetric surface with a rectangular unit mesh. This is in contrast to the observed four-fold symmetry with a square unit mesh on an etched miscut single crystal CdTe(001). Two sets of two-fold symmetric diffraction spots with unequal intensities indicate unequal populations of two 90° orientation domains in the etched film. Based on the 2D maps and tilted azimuthal dependent RHEED patterns of the etched film, it unveils that the short length of rectangular unit mesh in the dominant domain aligns with the step edge direction. A simple method to characterize the miscut angle of a heteroepitaxial film grown on a miscut substrate is demonstrated using ARHEED. Both etched single crystal and film surfaces are Te rich with a higher Te to Cd ratio on the elongated hillocks in the etched film disclosed by scanning Auger electron spectroscopy mapping. This methodology can be applied to examine etched epitaxial film's surfaces that might deviate from bulk structure or bulk stoichiometry before interfacing with other materials to form heterojunctions or making ohmic contacts with metals.

Combining Borrmann and weak-beam diffraction images to study defects in a high-quality CdTe(Zn) crystal

In this work, synchrotron radiation rocking curve imaging (RCI) is used to visualize and characterize dislocations and second-phase defects in a highly perfect and absorbing CdTe(Zn) crystal. This technique requires recording a series of Bragg diffracted images along the rocking curve to produce maps of the `local' integrated intensity, full width at half-maximum and peak position. The diffraction conditions of the reported experiment are such that anomalous transmission (Borrmann effect) is a crucial ingredient for the formation of the image of the defects. The images recorded and maps produced allow the investigation of a series of topics that, to the authors' knowledge, have not been previously studied. The first of these topics is the variation of the position and width of the Borrmann image of a defect when sitting on the peak and on the flanks of the diffraction curve. The second topic is the way Borrmann images show up on the usual RCI maps. The final topic is the combination of Borrmann and weak-beam images to infer the depth of the defect within the crystal.

Analysis and characterization of CdTe material surface defects

To study the impact of various defects associated close to the surface layer of CdTe material, we use scanning laser Transient Current Technique. This gives us an overview of different compositional inhomogeneities, such as dislocations, grain boundaries, and tellurium inclusions. Particularly, reconstructed high resolution spatial images provide a map of different electrically active defects. Each spatial point contains a recording of a current pulse, from which shape we calculate drift times and total collected charge. Charge mobility and charge loss are extracted from current pulses and show the effects of charge trapping and polarization. In addition, we investigate the impact of the ALD alumina-CdTe interface and negative fixed charge trapping using both passivated and non-passivated CdTe crystals.

Prompt gamma ray detection and imaging for boron neutron capture therapy using CdTe detector and novel detector shield - Monte Carlo study.

For boron neutron capture therapy (BNCT), the improvements in patient dosimetry will require information about the spatial variation of 10 B concentration in the tumor and critical organs. A non-invasive approach, based on the detection of prompt gamma (PG) rays from the BNC reaction, may be well-suited to obtain such information. The detectability of the BNC PG rays has been shown experimentally utilizing energy-resolving cadmium telluride (CdTe) detectors. However, the feasibility of this approach under the clinically relevant conditions of BNCT is currently unknown. The present work aimed to investigate the aforementioned feasibility by performing Monte Carlo (MC) simulations under the phantom irradiation geometry relevant to accelerator-based BNCT (a-BNCT). Especially, this investigation focused on demonstrating the enhanced detection of the BNC PG rays using a novel neutron shield for CdTe detectors. Upon demonstrating the efficacy of the proposed detector shield, the BNC PG ray-based quantitative imaging of clinically relevant concentrations of 10 B was also demonstrated. The Geant4 MC simulation toolkit was used to model the phantom irradiation by an epithermal neutron beam as well as the detection of the BNC PG rays from the phantom by CdTe detectors with and without the proposed gadolinium (Gd)-based detector shield. It was also used to model the BNC PG ray-based quantitative imaging of 10 B concentrations under a-BNCT scenarios. Each model included a 20cm-diameter/24cm-height cylindrical PMMA phantom containing 10 B inserts at various concentrations. Arrays of CdTe crystals of 5×5×1 mm3 each (up to 120 in the case of a ring detector) were modeled for acquiring the BNC PG ray signals and quantitative imaging. According to the MC simulations, thermalized neutrons from the phantom were found to reach the CdTe detector and captured by Cd and Te, resulting in the gamma ray background noise that directly interfered with the BNC PG ray signal. The proposed Gd-based detector shield was found to be highly effective in shielding thermal neutrons from the phantom, thereby reducing the unwanted gamma ray background noise. Owing to this shield, the detection of as low as seven parts-per-million (ppm) of 10 B within the phantom of clinically relevant size was possible using 20 billion incident neutron histories. Furthermore, quantitative imaging of 10 B distributed at low concentration (down to 50ppm) within the phantom was demonstrated using computed tomography (CT) simulations with 16 billion incident neutron histories per angular projection. The 10 B detection limit (7.5ppm) was also estimated using the reconstructed CT image. Both 10 B detection limits determined from this investigation are deemed clinically relevant for BNCT. The proposed Gd-based detector shield played an essential role for achieving the currently reported 10 B detection limits. Overall, the present MC simulation work demonstrated highly sensitive BNC PG ray detection and imaging under a-BNCT scenarios using CdTe detectors coupled with a novel detector shield.

Laser-Induced Modification of the Morphology and Defect Structure of Heterostructures Based on Detector-Grade CdTe Crystals

Laser-Induced Modification of the Morphology and Defect Structure of Heterostructures Based on Detector-Grade CdTe Crystals

Comprehensive Review on CdTe crystals: Growth, Properties, and Photovoltaic Application

Comprehensive Review on CdTe crystals: Growth, Properties, and Photovoltaic Application

Cl-Doped CdTe Crystal Growth for Medical Imaging Applications

CdTe:Cl doped single crystals were grown under conditions of tellurium excess by using an accelerated crucible rotation technique, modified vertical Bridgman (ACRT-MVB) method. Chlorine dopant levels were kept at 4.4 × 1019 at·cm−3, for all growths, while the Te excess level varied from 3.5 to 15% by weight. The relationship between the detector performance, Te inclusions, and resistivity was investigated in detail. Tellurium excess caused additional nucleation which decreased the average single crystal grain size. At the same time, the increasing Te excess level improved the electrical transport properties. In the three Cl-doped, and one In-doped CdTe crystals, detectors from Cl-doped CdTe grown under 15% Te excess showed better response to gammas and alphas, and high µτ for electrons (1.8 × 10−3 cm2/V), as well as for holes (5.1 × 10−4 cm2/V). The full-width half maximum for the Cl-doped CdTe were very large, as the peaks were broadened, especially at high bias. This could be due to hole trapping in a Cl-related A-center (VCd-ClTe)−, and in Cd- vacancies (VCd)−, and electron trapping in Te-antisites (TeCd)+.

Multispectral photon-counting for medical imaging and beam characterization — A project review

Central focus of the MPMIB project – funded via the Academy of Finland’s RADDESS 2018–2021 programme – has been research towards a next-generation radiation detection system operating in a photon-counting (PC) multispectral mode: The extraction of energy spectrum per detector pixel data will lead to better efficacy in medical imaging with ionizing radiation. Therefore, it can be an important asset for diagnostic imaging and radiotherapy, enabling better diagnostic outcome with lower radiation dose as well as more versatile characterization of the radiation beam, leading for example to more accurate patient dosimetry.We present our approach of fabricating direct-conversion detectors based on cadmium telluride (CdTe) semiconductor material hybridized with PC mode capable application-specific integrated circuits (ASICs), and will give a review on our achievements, challenges and lessons learned. The CdTe crystals were processed at Micronova, Finland’s national research infrastructure for micro- and nanotechnology, employing techniques such as surface passivation via atomic layer deposition, and flip chip bonding of processed sensors to ASIC. Although CdTe has excellent photon radiation absorption properties, it is a brittle material that can include large concentrations of defects. We will therefore also emphasize our quality assessment of CdTe crystals and processed detectors, and present experimental data obtained with prototype detectors in X-ray and Co-60 beams at a standards laboratory.

Wideband Collinear Phase Matching in Cubic Semiconductors via the Linear Electro-Optic Effect: A Theoretical Study

In order to achieve collinear phase-matched nonlinear optical frequency conversion in cubic crystals, a novel method to induce and modulate the birefringence based on the linear electro-optic effect was studied. Taking terahertz generation with ZnTe and CdTe crystals of the 4¯3m point group as an example, an external electric field provided the freedom to realize perfect phase matching (PM) in a wide bandwidth up to 2 THz for difference frequency generation, with monochromatic optical waves at around 800 nm and 1010 nm, respectively. Theoretical simulations showed that such a method helps to extend the terahertz frequency, enhance the conversion efficiency, and alleviate the limitation on the pump wavelength, which is highly favorable for nonlinear optical uses of cubic crystals. Simultaneous wideband terahertz generation pumped by ultrashort laser pulses via optical rectification or difference frequency mixing was also discussed, indicating that an electric field can be used to modulate the PM characteristics without changing the group velocity-matching condition. Tuning the nonlinear interaction by an applied voltage is fast, robust, and convenient compared to other approaches. In addition, the linear electro-optic effect can make the nonlinear crystal a compact and high-speed terahertz amplitude modulator, which has great potential in radar, communication, imaging, etc.

Electron, phonon, optical and thermodynamic properties of CdTe crystal calculated by DFT

Electronic and phonon band structure, thermodynamic and optical properties are studied for the CdTe crystal. We calculated the electron and phonon dispersion at high symmetry directions, density of electron and phonon state, temperature dependence feature of Raman spectra, heat capacity, free energy, entropy, enthalpy and Debay temperature estimated with the generalized gradient approximation (GGA). A Perdew–Burke–Ernzerhof functional (PBE) was utilized. To study the optical properties was use a complex dielectric function ε(ħω). All of the calculated parameters correlate well with the known experimental data.