Binary Semiconductors Research Articles

Multi-channel machine learning based nonlocal kinetic energy density functional for semiconductors

Abstract The recently proposed machine learning-based physically-constrained nonlocal (MPN) kinetic energy density functional (KEDF) can be used for simple metals and their alloys (Sun and Chen 2024 Phys. Rev. B 109 115135). However, the MPN KEDF does not perform well for semiconductors. Here we propose a multi-channel MPN (CPN) KEDF, which extends the MPN KEDF to semiconductors by integrating information collected from multiple channels, with each channel featuring a specific length scale in real space. The CPN KEDF is systematically tested on silicon and binary semiconductors. We find that the multi-channel design for KEDF is beneficial for machine-learning-based models in capturing the characteristics of semiconductors, particularly in handling covalent bonds. In particular, the CPN5 KEDF, which utilizes five channels, demonstrates excellent accuracy across all tested systems. These results offer a new path for generating KEDFs for semiconductors.

Theoretical aspects of structure, electronic, optical and elastic properties of Ca(1-x)CxSe mixed alloys in binary and ternary phases

The structural, optoelectronic, and elastic properties of Carbon doped Calcium Selenide binary and ternary semiconductor alloys with the general form of Ca(1-x)CxSe, 0 ≤ x ≤ 1 in B1 and B3 phases have been scrutinized adopting augmented plane wave plus local orbital methods within density functional theory applying different approximations like the Local density approximation (LDA), Wu-Cohen-Generalized Gradients Approximation (WC-GGA) and modified Becke-Johnson (mBJ). Structural properties summarize the crystal structure, relevant atomic positions, lattice constant, Bulk modulus B0, minimum energy E0, and minimum volume V0. Elastic constants confirm the structure stability of the B1 and B3 phases. The band gap was modified from a wider for appropriate optoelectronic devices application to narrow that enhanced the range of applicability of these binary and ternary semiconductor compounds for optoelectronic device applications. Whereas optical properties which include the study of zero frequency limit of static dielectric constant ε0(ω) with its real and imaginary parts, static refractive index n(0), optical reflectivity R(ω), optical absorption coefficient α(ω), optical conductivity σ(ω), and loss function L(ω) studied comprehensively to get real electrical and optical properties of these materials and give semiconductor market best alternative candidate which shows its effectiveness in the visible, ultraviolet and infrared region of the electromagnetic spectrum. Obtained results compared together and with the available experimental along with theoretical work on these binary and ternary Carbon-doped Alkaline earth Selenide.

Synthesis of group-IV ternary and binary semiconductors using epitaxy of GeH3Cl and SnH4

Ge1−x−ySixSny alloys were grown on Ge buffers via reactions of SnH4 and GeH3Cl. The latter is a new CVD source designed for epitaxial development of group-IV semiconductors under low thermal budgets and CMOS-compatible conditions. The Ge1−x−ySixSny films were produced at very low temperatures between 160 and 200 °C with 3%–5% Si and ∼5%–11% Sn. The films were characterized using an array of structural probes that include Rutherford backscattering, x-ray photoelectron spectroscopy, high-resolution x-ray diffraction, scanning transmission electron microscopy, and atomic force microscopy. These studies indicate that the films are strained to Ge and exhibit defect-free microstructures, flat surfaces, homogeneous compositions, and sharp interfaces. Raman was used to determine the compositional dependence of the vibrational modes indicating atomic distributions indistinguishable from those obtained when using high-order Ge hydrides. For a better understanding of the growth mechanisms, a parallel study was conducted to investigate the GeH3Cl applicability for synthesis of binary Ge1−ySny films. These grew strained to Ge, but with reduced Sn compositions and lower thicknesses relative to Ge1−x−ySixSny. Bypassing the Ge buffers led to Ge1−ySny-on-Si films with compositions and thicknesses comparable to Ge1−ySny-on-Ge; but their strains were mostly relaxed. Efforts to increase the concentration and thickness of Ge1−ySny-on-Si resulted in multiphase materials containing large amounts of interstitial Sn. These outcomes suggest that the incorporation of even small Si amounts in Ge1−x−ySixSny might compensate for the large Ge–Sn mismatch by lowering bond strains. Such an effect reduces strain energy, enhances stability, promotes higher Sn incorporation, and increases critical thickness.

Predicting exciton binding energies from ground-state properties

We systematically investigate the correlations between exciton binding energies and various easily calculated ground-state properties (“predictors”) that have been proposed to correlate with them. We do so for 51 bulk compounds, ranging from simple binary semiconductors to more exotic materials such as noble gas solids, perovskites, and layered systems and show that using only a few easily calculable parameters, a broadly applicable clustering of materials according to their exciton binding energies is possible. While no single one of the proposed parameters satisfactorily predicts the exciton binding energy, a combination of several parameters that enter the Wannier-Mott model or characterize the nature of the valence band and the ionicity of the compound allows a reliable automated clustering of exciton binding energies. The results allow an efficient estimation of the importance of excitonic effects without the need for expensive many-body perturbation theory calculations or other advanced numerically demanding approaches. Published by the American Physical Society 2024

Controlling Oxygen Vacancy Content by Varying Calcination Temperature to Enhance the Gas Sensing Performance of BiVO4 Material

Compared to gas sensors based on single metal oxide, gas sensors based on binary metal oxide semiconductors (MOS) offer a rich variety of structural types and hold great potential for excellent selectivity. Inspired by this, we synthesized BiVO4 powder through a stepwise reaction combining calcination with hydrothermal bath and investigated the influence of different calcination temperatures on its gas sensitivity performance. Our study revealed that BiVO4-600 exhibited optimal TEA gas sensing behavior at 225 °C, showing high response values (Ra/Rg = 43.4) and fast response/recovery times (15 s/52 s). Additionally, the sensor displayed high stability, repeatability, and exceptional selectivity. Preliminary research indicates that calcination temperature induces changes in the oxygen vacancy content of BiVO4, thus affecting its sensing performance.

Transition Metal Oxide Nanomaterials: New Weapons to Boost Anti-Tumor Immunity Cycle.

Semiconductor nanomaterials have emerged as a significant factor in the advancement of tumor immunotherapy. This review discusses the potential of transition metal oxide (TMO) nanomaterials in the realm of anti-tumor immune modulation. These binary inorganic semiconductor compounds possess high electron mobility, extended ductility, and strong stability. Apart from being primary thermistor materials, they also serve as potent agents in enhancing the anti-tumor immunity cycle. The diverse metal oxidation states of TMOs result in a range of electronic properties, from metallicity to wide-bandgap insulating behavior. Notably, titanium oxide, manganese oxide, iron oxide, zinc oxide, and copper oxide have garnered interest due to their presence in tumor tissues and potential therapeutic implications. These nanoparticles (NPs) kickstart the tumor immunity cycle by inducing immunogenic cell death (ICD), prompting the release of ICD and tumor-associated antigens (TAAs) and working in conjunction with various therapies to trigger dendritic cell (DC) maturation, T cell response, and infiltration. Furthermore, they can alter the tumor microenvironment (TME) by reprogramming immunosuppressive tumor-associated macrophages into an inflammatory state, thereby impeding tumor growth. This review aims to bring attention to the research community regarding the diversity and significance of TMOs in the tumor immunity cycle, while also underscoring the potential and challenges associated with using TMOs in tumor immunotherapy.

Atomistic Origins of Various Luminescent Centers and n-Type Conductivity in GaN: Exploring the Point Defects Induced by Cr, Mn, and O through an Ab Initio Thermodynamic Approach.

GaN is a technologically indispensable material for various optoelectronic properties, mainly due to the dopant-induced or native atomic-scale point defects that can create single photon emitters, a range of luminescence bands, and n- or p-type conductivities. Among the various dopants, chromium and manganese-induced defects have been of particular interest over the past few years, because some of them contribute to our present-day light-emitting diode (LED) and spintronic technologies. However, the nature of such atomistic centers in Cr and Mn-doped GaN is yet to be understood. A comprehensive defect thermodynamic analysis of Cr- and Mn-induced defects is essential for their engineering in GaN crystals because by mapping out the defect stabilities as a function of crystal growth parameters, we can maximize the concentration of the target point defects. We therefore investigate chromium and manganese-induced defects in GaN with ab initio methods using the highly accurate exchange-correlation hybrid functionals, and the phase transformations upon excess incorporation of these dopants using the CALPHAD method. We also investigate the impact of oxygen codoping that can be unintentionally incorporated during crystal growth. Our analysis sheds light on the atomistic cause of the unintentional n-type conductivity in GaN, being ON-related. In the case of Cr doping, the formation of CrGa defects is the most dominant, with an E +/0 charge transition at E VBM + 2.19 eV. Increasing nitrogen partial pressure tends to enhance the concentration of CrGa. However, in the case of doping with Mn, several different Mn-related centers can form depending on the growth conditions, with MnGa being the most dominant. MnGa possesses the E 2+/+, E +/0, and E 0/- charge transitions at 0.56, 1.04, and 2.10 eV above the VBM. The incorporation of oxygen tends to cause the formation of the MnGa-VGa center, which explains a series of prior experimental observations in Mn-doped GaN. We provide a powerful tool for point defect engineering in wide band gap binary semiconductors that can be readily used to design optimal crystal growth protocols.

Homopolar Chemical Bonds Induce In‐Plane Anisotropy in Layered Semiconductors

Main‐group layered binary semiconductors, in particular, the III–VI alloys in the binary Ga–Te system are attracting increasing interest for a range of practical applications. The III–VI semiconductor, monoclinic gallium monotelluride (m‐GaTe), has been recently used in high‐sensitivity photodetectors/phototransistors and electronic memory applications due to its anisotropic properties yielding superior optical and electrical performance. Despite these applications, the origin of such anisotropy, namely the complex structural and bonding environments in GaTe nanostructures remain to be fully understood. In the present work, a comprehensive atomic‐scale characterization of m‐GaTe is reported by element‐resolved atomic‐scale microscopy experiments, enabling a direct measure of the in‐plane anisotropy at the sub‐Angstrom level. It is shown that these experimental images compare well with the results of first‐principles modeling. Quantum‐chemical bonding analyses provide a detailed picture of the atomic neighbor interactions within the layers, revealing that vertical GaGa homopolar bonds get stronger when they are distorted and rotated, inducing the strong in‐plane anisotropy. Beyond GaTe, using a systematic screening over the Materials Project database, the four additional low‐symmetric layered crystals with similar distorted tetrahedral patterns are identified, indicating that the homopolar‐bond‐induced anisotropy is a more generic feature in these layered van der Waals (vdW) materials.

3D molecular structural modeling and characterization of indium phosphide via irregularity topological indices

Indium phosphide (InP) is a binary semiconductor composed of indium and phosphorus. It has a zinc blende crystal structure, which is a type of cubic lattice structure. This lattice is composed of indium and phosphorus atoms arranged in a lattice of cube-shaped cells, with each cell containing four indium atoms and four phosphorus atoms. This lattice structure is the same for all materials with a zinc blende crystal structure and is the most common type of lattice structure in semiconductors. Indium phosphide (InP) has several chemical applications. It is commonly used as a dopant in the production of semiconductors, where it helps control the electrical properties of the material. InP is also utilized in the synthesis various indium-containing compounds, which can have applications in catalysts and chemical reactions. Additionally, InP nanoparticles have been investigated for their potential use in biomedical imaging and drug delivery systems. The topological characterization of 3D molecular structures can be performed via graph theory. In graph theory, the connections between atoms are represented as edges and the atoms themselves are represented as nodes. Furthermore, graph theory can be used to calculate the topological descriptors of the molecule such as the degree-based and reverse degree-based irregularity toplogical indices. These descriptors can be used to compare the topology of different molecules. This paper deals with the modeling and topological characterization of indium phosphide (InP)\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$({\ ext{InP}})$$\\end{document} via degree-based and reverse irregularity indices. The 3D crystal structure of the InP is topologically modeled via partition of the edges, and derived closed form expressions for its irregularity indices. Our obtained results will be surely be helpful in investigating the QSPR/QSAR analysis as well as understanding the deep irregular behavior of the indium phosphide (InP)\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$({\ ext{InP}})$$\\end{document}.

Experimental and DFT studies of structural and optoelectronic properties of CdS, Zn doped CdS, and (Zn-Ni) co-doping CdS nanomaterials

Abstract This paper presents experimental and theoretical studies of binary semiconductor CdS, Zn:CdS, and (Zn-Ni) co-doped CdS. Thin films of pure CdS, Cd35ZnS36, and Cd34ZnNiS36 alloys grown by sol-gel spin coating were analyzed using X-ray diffraction, EDX, and UV-vis spectroscopy. The experimental results show the success of growing nanomaterials in hexagonal structures with crystallite sizes ranging from 1.6 to 2.11 nm and possessing band gaps in the region 2.30 -2.49 eV. Additionally, we investigate the structural and optoelectronic properties of these materials in the ground state using the density functional theory implemented in the WIEN2k software. The first principles calculations confirmed that the structural and optical properties of CdS align with the experimental results. For nanostructure Cd35ZnS36, the lattice parameters decrease, and the band gap increases to 2.85 eV with Zn doping. The (Zn-Ni) co-doped CdS structure optimization shows that the ferromagnetic configuration is more stable than the non-magnetic structure. The spin-polarized band structure investigations reveal that the majority spin-up channel is about 2.79 eV while the minority spin-down channel is around 2.19 eV. These results increase the importance of Zn:CdS and CdZnNiS alloys for optoelectronic and spintronic applications. The calculated optical properties of CdS, Zn:CdS, and (Zn-Ni) co-doped CdS show slight changes in refractive index and extinction coefficient with the doping and a quantitative agreement with the experimental findings.

Wide-Band Gap Binary Semiconductor P3N5 with Highly Anisotropic Optical Linearity and Nonlinearity.

Wide-band gap binary semiconductors find extensive use in advanced optoelectronic devices due to their exceptional electronic, optical, and defect properties. This paper systematically investigates the linear and nonlinear optical and defect properties of two P3N5 structures as wide-band gap binary semiconductors and evaluates their responses to external pressure modulation using first-principles calculations. The research demonstrates that the high-pressure phase of P3N5 has a broad UV solar-blind band gap (Eg ∼ 4.9 eV) and displays highly anisotropic optical linearity and nonlinearity, including a significant second harmonic generation effect (d24 ∼ 1.8 pm/V) and large birefringence (Δn ∼ 0.12), exhibiting a relatively small change in amplitude against pressure due to unique lattice incompressibility. This material enables birefringent phase-matched second harmonic coherent output at a much shorter wavelength (down to 286 nm) than currently known wide-band gap binary semiconductors such as SiC, GaN, AlN, Ga2O3, and Si3N4. An in-depth study of the defect properties of P3N5 in relation to its UV optical properties is also provided. These results are important references for utilizing the optoelectronic functions of this binary material system.

Oyster Pearl-Shaped Ternary Iron Chalcogenide, FeSe0.5Te0.5, Films on FTO through Electrochemical Growth from the Exchange of Chalcogens Boosted the Enzyme-Free Urea-Sensing Ability toward Real Analytes.

Here, iron chalcogenide thin films were developed for the first time by using the less hazardous electrodeposition technique at optimized conditions on an FTO glass substrate. The chalcogenides have different surface, morphological, structural, and optical properties, as well as an enzyme-free sensing behavior toward urea. Numerous small crystallites of about ∼20 to 25 nm for FeSe, ∼18 to 25 nm for FeTe, and ∼18 to 22 nm in diameter for FeSeTe are observed with partial agglomeration under an electron microscope, having a mixed phase of tetragonal and orthorhombic structures of FeSe, FeTe, and, FeSeTe, respectively. Profilometry, XRD, FE-SEM, HR-TEM, XPS, EDX, UV-vis spectroscopy, and FT-IR spectroscopy were used for the analysis of binary and ternary composite semiconductors, FeSe, FeTe, and FeSeTe, respectively. Electrochemical experiments were conducted with the chalcogenide thin films and urea as the analyte in phosphate-buffered media at a pH of ∼ 7.4 in the concentration range of 3-413 μM. Cyclic voltammetry was performed to determine the sensitivity of the prepared electrode at an optimized scan rate of 50 mV s-1. The electrodeposited chalcogenide films appeared with a low detection limit and satisfactory sensitivity, of which the ternary chalcogenide film has the lowest LOD of 1.16 μM and the maximum sensitivity of 74.22 μA μM-1 cm-2. The transition metal electrode has a very wide range of detection limit of 1.25-2400 μM with a short response time of 4 s. This fabricated biosensor is capable of exhibiting almost 75% of its starting activity after 2 weeks of storage in the freezer at 4 °C. Simple methods of preparation, a cost-effective process, and adequate electrochemical sensing of urea confirm that the prepared sensor is suitable as an enzyme-free urea sensor and can be utilized for future studies.

Feature-Assisted Machine Learning for Predicting Band Gaps of Binary Semiconductors.

The band gap is a key parameter in semiconductor materials that is essential for advancing optoelectronic device development. Accurately predicting band gaps of materials at low cost is a significant challenge in materials science. Although many machine learning (ML) models for band gap prediction already exist, they often suffer from low interpretability and lack theoretical support from a physical perspective. In this study, we address these challenges by using a combination of traditional ML algorithms and the 'white-box' sure independence screening and sparsifying operator (SISSO) approach. Specifically, we enhance the interpretability and accuracy of band gap predictions for binary semiconductors by integrating the importance rankings of support vector regression (SVR), random forests (RF), and gradient boosting decision trees (GBDT) with SISSO models. Our model uses only the intrinsic features of the constituent elements and their band gaps calculated using the Perdew-Burke-Ernzerhof method, significantly reducing computational demands. We have applied our model to predict the band gaps of 1208 theoretically stable binary compounds. Importantly, the model highlights the critical role of electronegativity in determining material band gaps. This insight not only enriches our understanding of the physical principles underlying band gap prediction but also underscores the potential of our approach in guiding the synthesis of new and valuable semiconductor materials.

Perspectives and progress on wurtzite ferroelectrics: Synthesis, characterization, theory, and device applications

Wurtzite ferroelectrics are an emerging material class that expands the functionality and application space of wide bandgap semiconductors. Promising physical properties of binary wurtzite semiconductors include a large, reorientable spontaneous polarization, direct band gaps that span from the infrared to ultraviolet, large thermal conductivities and acoustic wave velocities, high mobility electron and hole channels, and low optical losses. The ability to reverse the polarization in ternary wurtzite semiconductors at room temperature enables memory and analog type functionality and quasi-phase matching in optical devices and boosts the ecosystem of wurtzite semiconductors, provided the appropriate combination of properties can be achieved for any given application. In this article, advances in the design, synthesis, and characterization of wurtzite ferroelectric materials and devices are discussed. Highlights include: the direct and quantitative observation of polarization reversal of ∼135 μC/cm2 charge in Al1−xBxN via electron microscopy, Al1−xBxN ferroelectric domain patterns poled down to 400 nm in width via scanning probe microscopy, and full polarization retention after over 1000 h of 200 °C baking and a 2× enhancement relative to ZnO in the nonlinear optical response of Zn1−xMgxO. The main tradeoffs, challenges, and opportunities in thin film deposition, heterostructure design and characterization, and device fabrication are overviewed.

STRUCTURAL, ELECTRONIC, AND OPTICAL PROPERTIES INVESTIGATION OF ZnSe CUBIC SPHALERITE COMPOUNDS USING DENSITY FUNCTIONAL THEORY (DFT)

Theoretical investigation of the structural, elastic, electronic and optical properties of ZnSe using the plane-wave pseudo potential formalism method of density functional theory with local density approximation (LDA) and generalized gradient approximation (GGA) as exchange-correlation potentials (DFT). The optimal structure of the binary semiconductor ZnSe crystallized in the complex phase of sphalerite was determined by studying the energy as a function of the basic unit volume. The calculated equilibrium lattice constants, bulk moduli and volumes are in reasonable agreement with the available experimental results. The electronic and chemical bonding properties were investigated by calculating the band structure, density of states and Mulliken population. We found that for ZnSe, the band gap of LDA is 1.33 eV and that of GGA is 1.34 eV. In addition, optical properties (absorption coefficients) were calculated.

Review on synthetic approaches and PEC activity performance of bismuth binary and mixed-anion compounds for potential applications in marine engineering.

Photoelectrochemical (PEC) technology in marine engineering holds significant importance due to its potential to address various challenges in the marine environment. Currently, PEC-type applications in marine engineering offer numerous benefits, including sustainable energy generation, water desalination and treatment, photodetection, and communication. Finding novel efficient photoresponse semiconductors is of great significance for the development of PEC-type techniques in the marine space. Bismuth-based semiconductor materials possess suitable and tunable bandgap structures, high carrier mobility, low toxicity, and strong oxidation capacity, which gives them great potential for PEC-type applications in marine engineering. In this paper, the structure and properties of bismuth binary and mixed-anion semiconductors have been reviewed. Meanwhile, the recent progress and synthetic approaches were discussed from the point of view of the application prospects. Finally, the issues and challenges of bismuth binary and mixed-anion semiconductors in PEC-type photodetection and hydrogen generation are analyzed. Thus, this perspective will not only stimulate the further investigation and application of bismuth binary and mixed-anion semiconductors in marine engineering but also help related practitioners understand the recent progress and potential applications of bismuth binary and mixed-anion compounds.

Origin and suppression of dark current for high-performance colloidal quantum dot short-wave infrared photodetectors.

The development of cost-effective and highly sensitive short-wave infrared (SWIR) photodetectors is crucial for the expanding applications of SWIR imaging in civilian applications such as machine vision, autonomous driving, and augmented reality. Colloidal quantum dots (CQDs) have emerged as promising candidates for this purpose, offering distinct advantages over traditional III-V binary and ternary semiconductors. These advantages include the ability to precisely tune the bandgap through size modulation of CQDs and the ease of monolithic integration with Si readout integrated circuits (ROICs) via solution processing. Achieving a minimal reverse bias dark current density (Jd) while maintaining high external quantum efficiency is essential for enhancing the light detection sensitivity of CQDs-based SWIR photodiodes to a level competitive with III-V semiconductors. This challenge has garnered increasing research attention in recent years. Herein, the latest advancements in understanding and mitigating Jd in CQDs SWIR photodiodes are summarized. Starting with a brief overview of the material fundamentals of CQDs, the origins of Jd in CQDs photodiodes, including reverse injection from electrode, diffusion/drift currents, Shockley-Read-Hall generation/recombination currents, trap-assisted tunneling, and shunt/leakage currents, are discussed together with their latest research progresses about strategies adopted to suppress Jd. Finally, a brief conclusion and outlook on future research directions aimed at minimizing Jd and retaining high photoresponse of CQDs SWIR photodiodes are provided.

Photoreflectance spectroscopy of BiOCl epitaxial thin films

We have observed a new optical transition in the photoreflectance spectra of indirect-gap BiOCl thin films, which were grown on SrTiO3 substrates. The position of this transition is close in energy to its bulk critical point (CP) energy. Moreover, these are significantly lower than a higher-lying direct-type CP from an energetic point of view. The spectral line shape analysis for our observed signal suggests the presence of an excitonic effect of this compound. We determined its dependence of the optical anomaly on temperature ranging from 80 K to RT. We adopted the Varshni model for this analysis. At last, we compared photonic properties of BiOCl with those of an element and binary semiconductors.

Electronic structure, optical and elastic properties of Si doped Strontium Selenide: A theoretical investigation

The structural, electronic, optical, and elastic properties of Silicon doped Strontium Selenide binary and ternary semiconductor alloys with the general form of Sr(1-x)SixSe, 0 ≤ x ≤ 1 in B1 and B3 phases have been figured adopting augmented plane wave plus local orbital methods within density functional theory, Structural properties summarize the crystal structure, relevant atomic positions, lattice constant, bulk modulus minimum energy E0 and minimum volume V0. Elastic constants conform to the structure stability of the B1 and B3 phases. Band gap is found to shift from indirect to direct and in some materials with initial direct band gap, the gap width increased which increased the range of applicability of these binary and ternary semiconductor compounds. Whereas optical properties which include the study of zero frequency limit of static dielectric constant ε0(ω) with its real and imaginary parts, static refractive index n(0), optical reflectivity (R), optical absorption coefficient (α), and loss function (L) studied comprehensively to get real electrical and optical properties of these materials and give semiconductor market best alternative candidate which shows its effectiveness in the visible, ultraviolet and infrared region of the electromagnetic spectrum. The obtained results were compared together and with the available experimental along with theoretical work on these binary and ternary Silicon doped Alkaline earth chalcogenides.

Analysis of Plasmon Loss Peaks of Oxides and Semiconductors with the Energy Loss Function.

This paper highlights the use and applications of the energy loss function (ELF) for materials analysis by using electron energy loss spectroscopy (EELS). The basic Drude-Lindhart theory of the ELF is briefly presented along with reference to reflection electron energy loss (REELS) data for several dielectric materials such as insulating high-k binary oxides and semiconductors. Those data and their use are critically discussed. A comparison is made to the available ab initio calculations of the ELF for these materials. Experimental, high-resolution TEM-EELS data on Si, SiC, and CeO2 obtained using a high-resolution, double-Cs-corrected transmission electron microscope are confronted to calculated spectra on the basis of the ELF theory. Values of plasmon energies of these three dielectric materials are quantitatively analyzed on the basis of the simple Drude's free electron theory. The effects of heavy ion irradiation on the TEM-EELS spectra of Si and SiC are addressed. In particular, the downward shifts of plasmon peaks induced by radiation damage and the subsequent amorphization of Si and SiC are discussed. TEM-EELS data of CeO2 are also analyzed with respect to the ELF data and with comparison to isostructural ZrO2 and PuO2 by using the same background and with reference to ab initio calculations.