Ramesh Kumar Raji, Tholkappiyan Ramachandran, Fathalla Hamed, Srinivasa S
Multiferroic materials have sparked significant interest in the realm of materials science because of their potential impact on various device applications. This study focuses on the synthesis of nanocrystalline La1−xPrxFeO3 (LPFO) materials, where x can be either 0 or 0.5, using a solid-state technique. The aim is to gain insights into their structural, optical, dielectric, and magnetic properties. To confirm the chemical phase of the synthesized materials, X-ray diffractometer and Raman spectroscopy were employed. The outcome of the Rietveld analysis reveals that the LPFO crystallites exhibit orthorhombic symmetry with a Pbnm space group. The functional groups that were present in the LPFO samples were identified using FT-IR spectroscopic analysis. The morphological studies using scanning electron microscope and transmission electron microscope indicate that the synthesized samples exhibit excellent homogeneity with uniformly distributed grains. In order to investigate the dielectric constant (εʹ) and dielectric loss (tan δ) were examined as functions of temperature and frequency. Pr3+ dopants had a notable impact on the dielectric characteristics, particularly within the frequency span of 10 kHz–1 MHz and over the temperature variation of 40–160°C. The ambient temperature magnetic properties of the LPFO ferrite materials displayed antiferromagnetic behavior. Ultimately, this research reveals insightful information on the structural, optical, dielectric, and magnetic properties of the synthesized nanocrystalline LPFO materials, shedding light on their potential applications in the multifunctional devices.
{"title":"Tailoring Multiferroic Characteristics in LaFeO3 Nanocrystals via Rare-Earth Pr3+ Doping","authors":"Ramesh Kumar Raji, Tholkappiyan Ramachandran, Fathalla Hamed, Srinivasa S","doi":"10.1155/2023/7369790","DOIUrl":"https://doi.org/10.1155/2023/7369790","url":null,"abstract":"Multiferroic materials have sparked significant interest in the realm of materials science because of their potential impact on various device applications. This study focuses on the synthesis of nanocrystalline La<sub>1−<i>x</i></sub>Pr<sub><i>x</i></sub>FeO<sub>3</sub> (LPFO) materials, where <i>x</i> can be either 0 or 0.5, using a solid-state technique. The aim is to gain insights into their structural, optical, dielectric, and magnetic properties. To confirm the chemical phase of the synthesized materials, X-ray diffractometer and Raman spectroscopy were employed. The outcome of the Rietveld analysis reveals that the LPFO crystallites exhibit orthorhombic symmetry with a Pbnm space group. The functional groups that were present in the LPFO samples were identified using FT-IR spectroscopic analysis. The morphological studies using scanning electron microscope and transmission electron microscope indicate that the synthesized samples exhibit excellent homogeneity with uniformly distributed grains. In order to investigate the dielectric constant (<i>ε</i>ʹ) and dielectric loss (tan <i>δ</i>) were examined as functions of temperature and frequency. Pr<sup>3+</sup> dopants had a notable impact on the dielectric characteristics, particularly within the frequency span of 10 kHz–1 MHz and over the temperature variation of 40–160°C. The ambient temperature magnetic properties of the LPFO ferrite materials displayed antiferromagnetic behavior. Ultimately, this research reveals insightful information on the structural, optical, dielectric, and magnetic properties of the synthesized nanocrystalline LPFO materials, shedding light on their potential applications in the multifunctional devices.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2023-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138560446","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sung-Hung Lan, Wei-Xiang Wang, Chien-Chon Chen, Hsi-Wen Yang
PbO glass has an adverse effect on the environment; the bismuth glass has a high refractive index, low melting temperature, softening temperature, and glass transition temperature (Tg), so that it can be used as a lead-free glass, used in optoelectronics, electronics, optics, and other components, which bismuth glass has been proved to be an important replacement material. Due to the higher melting temperature, Bi3+ ions tend to partially reduce to the low valence state of Bi0, which in turn causes coloration of the glass. In this experiment, the absorption peaks of glass oxidized brown color were observed at about 470 nm at 1,100°C (Bi2O3 = 40, 45 mol%) and 1,000°C (Bi2O3 = 40 mol%) for these three curves. The bismuth glass produced by high-temperature melting is not suitable for optical applications; by adding an oxidant (Sb2O3), which inhibits the reduction reaction of bismuth ions and maintains the ions in the state of Bi3+, the glass becomes more transparent in appearance and the transmittance is also improved and raised to approximately 75%–80%, which proves that appropriate additives are sufficient to greatly improve the application of bismuth glass for optical components. In the research process, the density and molar volume were measured by Archimedes method, Raman analysis was used to explore the influence of its structural changes, UV/Vis spectroscopy was used to measure the transmittance and absorption spectra for analysis and discussion, and TMA was used to observe the thermal properties, in the hope of developing a good optical properties of the glass, and the present experiments have confirmed that the addition of a small amount of Sb2O3 changes the color of the glass from black to a light yellow, which can be better used in the optical glass.
{"title":"The Study on the Decolorization and Properties of Bismuth Glass","authors":"Sung-Hung Lan, Wei-Xiang Wang, Chien-Chon Chen, Hsi-Wen Yang","doi":"10.1155/2023/7366612","DOIUrl":"https://doi.org/10.1155/2023/7366612","url":null,"abstract":"PbO glass has an adverse effect on the environment; the bismuth glass has a high refractive index, low melting temperature, softening temperature, and glass transition temperature (<i>T</i><sub>g</sub>), so that it can be used as a lead-free glass, used in optoelectronics, electronics, optics, and other components, which bismuth glass has been proved to be an important replacement material. Due to the higher melting temperature, Bi<sup>3+</sup> ions tend to partially reduce to the low valence state of Bi<sup>0</sup>, which in turn causes coloration of the glass. In this experiment, the absorption peaks of glass oxidized brown color were observed at about 470 nm at 1,100°C (Bi<sub>2</sub>O<sub>3</sub> = 40, 45 mol%) and 1,000°C (Bi<sub>2</sub>O<sub>3</sub> = 40 mol%) for these three curves. The bismuth glass produced by high-temperature melting is not suitable for optical applications; by adding an oxidant (Sb<sub>2</sub>O<sub>3</sub>), which inhibits the reduction reaction of bismuth ions and maintains the ions in the state of Bi<sup>3+</sup>, the glass becomes more transparent in appearance and the transmittance is also improved and raised to approximately 75%–80%, which proves that appropriate additives are sufficient to greatly improve the application of bismuth glass for optical components. In the research process, the density and molar volume were measured by Archimedes method, Raman analysis was used to explore the influence of its structural changes, UV/Vis spectroscopy was used to measure the transmittance and absorption spectra for analysis and discussion, and TMA was used to observe the thermal properties, in the hope of developing a good optical properties of the glass, and the present experiments have confirmed that the addition of a small amount of Sb<sub>2</sub>O<sub>3</sub> changes the color of the glass from black to a light yellow, which can be better used in the optical glass.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2023-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138524059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The structural, electronic, vibrational, and optical properties of 2D- 2H-WTe2 monolayer are investigated using density functional theory with respect to a plane wave ultrasoft pseudopotentials (PW-USPPs) in a generalized gradient approximation (GGA) and with the Hubbard potential (GGA + U). The equilibrium state properties such as lattice parameters, unit cell volume, bulk modulus, and its derivative are determined. The band gap values of monolayer 2H-WTe2 are investigated for unstrained, 2% biaxial compression, and biaxial tensile stress using GGA, respectively. The obtained band gap values of 2H-WTe2 with respect to GGA are 1.043, 1.1487, and 0.9439 eV for unstrained, biaxial compression, and tensile strain, respectively. Moreover, the band gap values determined using Hubbard correction (GGA + U) are 1.1089 eV (unstrained), 1.2332 eV (2% biaxial compression), and 0.9945 eV (2% biaxial tensile stress), respectively. The band gap value obtained using Hubbard correction predicts the experimental value more precisely. The projected density of state shows W (3d) orbital is more dominant both in the valence band maximum and conduction band minimum. Moreover, a small amount of tensile or compressive strain is used to tune the band gap of the monolayer without affecting its direct band gap nature. In addition to this, the phonon dispersion and optical properties are discussed for tensile strain, unstrained, and compressive strain, respectively.
{"title":"Structural, Electronic, Dynamic, and Optical Properties of 2D Monolayer Tungsten Telluride (2H-WTe2) under Small Biaxial Strain Using Density Functional Theory (DFT and DFT + U)","authors":"Mulugeta Woldesenbet, Nebiyu Debelo, Menberu Woldemariam","doi":"10.1155/2023/3179210","DOIUrl":"https://doi.org/10.1155/2023/3179210","url":null,"abstract":"The structural, electronic, vibrational, and optical properties of 2D- 2H-WTe2 monolayer are investigated using density functional theory with respect to a plane wave ultrasoft pseudopotentials (PW-USPPs) in a generalized gradient approximation (GGA) and with the Hubbard potential (GGA + U). The equilibrium state properties such as lattice parameters, unit cell volume, bulk modulus, and its derivative are determined. The band gap values of monolayer 2H-WTe2 are investigated for unstrained, 2% biaxial compression, and biaxial tensile stress using GGA, respectively. The obtained band gap values of 2H-WTe2 with respect to GGA are 1.043, 1.1487, and 0.9439 eV for unstrained, biaxial compression, and tensile strain, respectively. Moreover, the band gap values determined using Hubbard correction (GGA + U) are 1.1089 eV (unstrained), 1.2332 eV (2% biaxial compression), and 0.9945 eV (2% biaxial tensile stress), respectively. The band gap value obtained using Hubbard correction predicts the experimental value more precisely. The projected density of state shows W (3d) orbital is more dominant both in the valence band maximum and conduction band minimum. Moreover, a small amount of tensile or compressive strain is used to tune the band gap of the monolayer without affecting its direct band gap nature. In addition to this, the phonon dispersion and optical properties are discussed for tensile strain, unstrained, and compressive strain, respectively.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2023-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138524061","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
D. Vijayalakshmi, T. Ramachandran, G. Jaiganesh, G. Kalpana, F. Hamed
We present a comprehensive investigation of the electromagnetic properties of CdAB2 compounds, where A represents Cr, Mn, or Fe, and B denotes P or As. To investigate the spin-polarized behavior of these compounds the A atoms were substituted at the Group IV (Ge) position in CdGeB2 in the chalcopyrite crystal structure. Our results reveal that all the CdAB2 compounds exhibit compelling spin-splitting of energy states near the Fermi level (EF). Notably, CdAB2 materials with A = Cr and Mn exhibit intriguing half-metallic ferromagnetic (HMF) characteristics, with the calculated total magnetic moments of 2.00 and 3.00 µB/f.u., respectively. The HMF properties originated in CdAB2 (A = Cr and Mn; B = P, As) these compounds owing to the hybridization of partially filled -3d(t2g) states of A atoms with the p-states of B (P, As) atoms, with minor contributions from Cd’s-like states. In contrast, CdFeB2 displays distinct behavior, demonstrating spin-splitting of energy levels around the EF indicative of a stable ferromagnetic (FM) state and the absence of HMF at their equilibrium volume. The calculated total magnetic moments for CdFeP2 and CdFeAs2 are about 1.83 (1.64 µB/f.u.) and 1.94 µB/f.u. (1.84 µB/f.u.) under generalized gradient approximation (GGA) (local spin density approximation (LSDA)) approximations, respectively. Perhaps these CdAB2 compounds (A = Cr and Mn; B = P, As) with HMF characteristic within both LSDA and GGA formalisms makes them highly promising candidates for spin injectors in the spintronic device applications. Furthermore, their semiconducting nature renders CdCrB2 and CdMnB2 materials compatible with silicon and other semiconducting lattices, enhancing their potential practical applications in the spintronic technologies. In conclusion, this study presents a thorough exploration of the robust electronic and magnetic properties of CdAB2 chalcopyrites, offering exciting prospects for their utilization in the future spintronic applications.
{"title":"Unveiling the Robust Struct-Electromagnetic Characteristics of CdAB2 Chalcopyrite (A = Cr, Mn, Fe; B = P, As): A Comprehensive Ab-Initio Study","authors":"D. Vijayalakshmi, T. Ramachandran, G. Jaiganesh, G. Kalpana, F. Hamed","doi":"10.1155/2023/1754324","DOIUrl":"https://doi.org/10.1155/2023/1754324","url":null,"abstract":"We present a comprehensive investigation of the electromagnetic properties of CdAB2 compounds, where A represents Cr, Mn, or Fe, and B denotes P or As. To investigate the spin-polarized behavior of these compounds the A atoms were substituted at the Group IV (Ge) position in CdGeB2 in the chalcopyrite crystal structure. Our results reveal that all the CdAB2 compounds exhibit compelling spin-splitting of energy states near the Fermi level (EF). Notably, CdAB2 materials with A = Cr and Mn exhibit intriguing half-metallic ferromagnetic (HMF) characteristics, with the calculated total magnetic moments of 2.00 and 3.00 µB/f.u., respectively. The HMF properties originated in CdAB2 (A = Cr and Mn; B = P, As) these compounds owing to the hybridization of partially filled -3d(t2g) states of A atoms with the p-states of B (P, As) atoms, with minor contributions from Cd’s-like states. In contrast, CdFeB2 displays distinct behavior, demonstrating spin-splitting of energy levels around the EF indicative of a stable ferromagnetic (FM) state and the absence of HMF at their equilibrium volume. The calculated total magnetic moments for CdFeP2 and CdFeAs2 are about 1.83 (1.64 µB/f.u.) and 1.94 µB/f.u. (1.84 µB/f.u.) under generalized gradient approximation (GGA) (local spin density approximation (LSDA)) approximations, respectively. Perhaps these CdAB2 compounds (A = Cr and Mn; B = P, As) with HMF characteristic within both LSDA and GGA formalisms makes them highly promising candidates for spin injectors in the spintronic device applications. Furthermore, their semiconducting nature renders CdCrB2 and CdMnB2 materials compatible with silicon and other semiconducting lattices, enhancing their potential practical applications in the spintronic technologies. In conclusion, this study presents a thorough exploration of the robust electronic and magnetic properties of CdAB2 chalcopyrites, offering exciting prospects for their utilization in the future spintronic applications.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2023-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139253409","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We have carried out molecular dynamics (MD) simulation techniques to study the diffusion coefficient of interlayer molecules at different temperature. We have focused on the translation dynamics of water in bihydrated states within the context of water dynamics in clays. We concentrated on temperatures between 293 and 350 K, i.e., the range important to daily life wastewater handling. A natural clay has been modified as a synthetic clay called fluorohectorite clay, and the properties are studied using MD simulations, the result of which allows us to understand the determining parameters through a comparison with experiment values. The activation energy is determined by our simulation to be between [0.09−0.17] eV per particle. The calculated diffusion constants are in the order of 10−5 cm2s−1. The simulation results are in a good agreement with experiments for the relevant set of conditions, and give insight into the origin of the observed dynamics.
{"title":"Temperature Dependence Study of Water Dynamics in Fluorohectorite Clays Using Molecular Dynamics Simulations","authors":"H. O. Mohammed, K. N. Nigussa","doi":"10.1155/2023/7005896","DOIUrl":"https://doi.org/10.1155/2023/7005896","url":null,"abstract":"We have carried out molecular dynamics (MD) simulation techniques to study the diffusion coefficient of interlayer molecules at different temperature. We have focused on the translation dynamics of water in bihydrated states within the context of water dynamics in clays. We concentrated on temperatures between 293 and 350 K, i.e., the range important to daily life wastewater handling. A natural clay has been modified as a synthetic clay called fluorohectorite clay, and the properties are studied using MD simulations, the result of which allows us to understand the determining parameters through a comparison with experiment values. The activation energy <svg height=\"11.927pt\" style=\"vertical-align:-3.291101pt\" version=\"1.1\" viewbox=\"-0.0498162 -8.6359 13.2655 11.927\" width=\"13.2655pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g transform=\"matrix(.013,0,0,-0.013,0,0)\"></path></g><g transform=\"matrix(.0091,0,0,-0.0091,7.943,3.132)\"></path></g></svg> is determined by our simulation to be between [0.09−0.17] eV per particle. The calculated diffusion constants are in the order of 10<sup>−5</sup> cm<sup>2</sup>s<sup>−1</sup>. The simulation results are in a good agreement with experiments for the relevant set of conditions, and give insight into the origin of the observed dynamics.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2023-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138542828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this computational study, a novel borophene polymorph, Ogee-Borophene, characterized by irregular decagon-shaped hollows was reported. The structure involves a deviation from hexagonal configurations found in all other known borophene polymorphs. The decagon-shaped hollow is highly related to the anisotropy of the structure, which results in three types of boron atoms with different electronic properties in the structure. In the study, the electronic structure and density of states of this novel structure were investigated with the help of density functional theory calculations. The electronic structure of Ogee-Borophene shows Dirac cone formations near the Fermi level. The discovery of a novel borophene polymorph, Ogee-Borophene, with irregular-shaped hollows represents a different point of view in the 2D materials field. The unique electronic properties of this material suggest that Ogee-Borophene has the potential to be used in a variety of applications, including transistors, and selective sensor applications without the need for additional doping.
{"title":"Electronic Properties of a Novel Boron Polymorph: Ogee-Borophene","authors":"B. Sarikavak-Lisesivdin, S. B. Lisesivdin","doi":"10.1155/2023/9933049","DOIUrl":"https://doi.org/10.1155/2023/9933049","url":null,"abstract":"In this computational study, a novel borophene polymorph, Ogee-Borophene, characterized by irregular decagon-shaped hollows was reported. The structure involves a deviation from hexagonal configurations found in all other known borophene polymorphs. The decagon-shaped hollow is highly related to the anisotropy of the structure, which results in three types of boron atoms with different electronic properties in the structure. In the study, the electronic structure and density of states of this novel structure were investigated with the help of density functional theory calculations. The electronic structure of Ogee-Borophene shows Dirac cone formations near the Fermi level. The discovery of a novel borophene polymorph, Ogee-Borophene, with irregular-shaped hollows represents a different point of view in the 2D materials field. The unique electronic properties of this material suggest that Ogee-Borophene has the potential to be used in a variety of applications, including transistors, and selective sensor applications without the need for additional doping.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136234705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Throughout this work, the equations of variation of the isothermal bulk modulus, its first pressure derivative, and the volumetric thermal expansion coefficient as a function of pressure were derived based on the Birch–Murnaghan equation of state (B–M EOS). The bulk modulus and its first derivative at ambient temperature for nine elements were extracted by fitting the published experimental pressure–volume data to B–M EOS, and the results were compared with other published researches, and there was a good agreement. Moreover, those extracted values were used to study the variation of the isothermal bulk modulus, its first pressure derivative, and the isothermal coefficient of thermal expansion as a function of the applied hydrostatic pressure using the equations that were derived from this work.
{"title":"Variation of Bulk Modulus, Its First Pressure Derivative, and Thermal Expansion Coefficient with Applied High Hydrostatic Pressure","authors":"Manaf A. Mahammed, Hamsa B. Mohammed","doi":"10.1155/2023/9518475","DOIUrl":"https://doi.org/10.1155/2023/9518475","url":null,"abstract":"Throughout this work, the equations of variation of the isothermal bulk modulus, its first pressure derivative, and the volumetric thermal expansion coefficient as a function of pressure were derived based on the Birch–Murnaghan equation of state (B–M EOS). The bulk modulus and its first derivative at ambient temperature for nine elements were extracted by fitting the published experimental pressure–volume data to B–M EOS, and the results were compared with other published researches, and there was a good agreement. Moreover, those extracted values were used to study the variation of the isothermal bulk modulus, its first pressure derivative, and the isothermal coefficient of thermal expansion as a function of the applied hydrostatic pressure using the equations that were derived from this work.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135967922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The dispersion characteristics of surface waves for transverse electric and magnetic polarization modes of photonic hypercrystals (PHC) are theoretically explored. PHC are composed of a dielectric and hyperbolic metamaterial (HMM) with thin layers of both metal and dielectric surface waves that decay inside red-shifted gaps have a negative group velocity, whereas surface waves that decay inside traditional blue-shifted gaps have more typical characteristics. Curve plotting is used to elucidate on how these surface waves depend on several other structural properties such as filling factor, widths of HMM and dielectric, frequency range and angle of incidence etc.
{"title":"Dispersion Properties of Surface Waves Decaying in Red-Shifted and Blue-Shifted Gaps in Photonic Hypercrystals","authors":"Hasnain Haider, Munazza Zulfiqar Ali","doi":"10.1155/2023/6773192","DOIUrl":"https://doi.org/10.1155/2023/6773192","url":null,"abstract":"The dispersion characteristics of surface waves for transverse electric and magnetic polarization modes of photonic hypercrystals (PHC) are theoretically explored. PHC are composed of a dielectric and hyperbolic metamaterial (HMM) with thin layers of both metal and dielectric surface waves that decay inside red-shifted gaps have a negative group velocity, whereas surface waves that decay inside traditional blue-shifted gaps have more typical characteristics. Curve plotting is used to elucidate on how these surface waves depend on several other structural properties such as filling factor, widths of HMM and dielectric, frequency range and angle of incidence etc.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135253100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Perpetua Jelimo Chemaoi, Philip Otieno Nyawere, Christopher Mkirema Maghanga
Hybrid halide perovskites are promising photovoltaic materials for use in solar cells. The ongoing research on perovskites have shown that these materials are potential light-harvesting mediums. The optical properties of dimethylammonium triiodostanate (II) (DASnI3) a hybrid halide perovskites needs to be studied because it can be a good light absorber material due to the wide band gap exhibited. The real and the imaginary parts of the dielectric is a measure of the extent of light absorption. The GGA+U exchange-correlation implemented in Quantum ESPRESSO was used basing on density functional theory to obtain the optical properties. The DASnI3 has a direct band gap of 2.7 eV with the real part of the dielectric diagram indicating that the maximum value of ε1 (ω) is in the visible range of (3.0–3.5 eV). High absorption peaks were also observed in the visible spectral region at energy of around (3.5–4.5 eV) with several weak peaks observed in the energy range of (4.5–14.0 eV). The band structure and the dielectric functions are important in the study of optical properties. These properties expresses the interaction of light with the material medium and thus the luminescence of the device which are important in the use of DASnI3 as a solar cell material in photovoltaics.
{"title":"Computation of the Dielectric and Optical Properties of Dimethylammonium Tin Triiodostanate (II) Perovskite for Solar Cell Application","authors":"Perpetua Jelimo Chemaoi, Philip Otieno Nyawere, Christopher Mkirema Maghanga","doi":"10.1155/2023/2902298","DOIUrl":"https://doi.org/10.1155/2023/2902298","url":null,"abstract":"Hybrid halide perovskites are promising photovoltaic materials for use in solar cells. The ongoing research on perovskites have shown that these materials are potential light-harvesting mediums. The optical properties of dimethylammonium triiodostanate (II) (DASnI3) a hybrid halide perovskites needs to be studied because it can be a good light absorber material due to the wide band gap exhibited. The real and the imaginary parts of the dielectric is a measure of the extent of light absorption. The GGA+U exchange-correlation implemented in Quantum ESPRESSO was used basing on density functional theory to obtain the optical properties. The DASnI3 has a direct band gap of 2.7 eV with the real part of the dielectric diagram indicating that the maximum value of ε1 (ω) is in the visible range of (3.0–3.5 eV). High absorption peaks were also observed in the visible spectral region at energy of around (3.5–4.5 eV) with several weak peaks observed in the energy range of (4.5–14.0 eV). The band structure and the dielectric functions are important in the study of optical properties. These properties expresses the interaction of light with the material medium and thus the luminescence of the device which are important in the use of DASnI3 as a solar cell material in photovoltaics.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135345141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The main focus of this article is to investigate the theoretical interplay of magnetism and superconductivity in a two-band model for the iron-based superconductor Ba1−xKxFe2As2. On the basis of experimental results, the two-band model Hamiltonian was considered. We obtained mathematical statements for the superconductor Ba1−xKxFe2As2 superconducting (SC) transition temperature, spin-density-wave (SDW), transition temperature, superconductivity order parameter, and SDW order parameter from the Bogoliubov transformation formalism and the model Hamiltonian. Furthermore, an expression for the dependence of the SDW transition temperature on the SDW order parameter and the dependence of the SC transition temperature on the SDW order parameter was obtained for Ba1−xKxFe2As2. By substituting the experimental and theoretical values of the parameters in the derived statements, phase diagrams of the SC transition temperature versus the SDW order parameter and the SDW transition temperature versus the SDW order parameters have been plotted to demonstrate the dependence of the SDW order parameter on transition temperatures. By combining the two-phase diagrams, we depicted the possible coexistence of superconductivity and magnetism for the Ba1−xKxFe2As2 superconductor. The phase diagrams of temperature versus SC order parameter and temperature versus SDW order parameter were also plotted to show the dependence of order parameters on temperature for the Ba1−xKxFe2As2 superconductor.
{"title":"Theoretical Investigation of the Interplay of Superconductivity and Magnetism in Ba1−xKxFe2As2 Superconductor in a Two-Band Model by Using the Bogoliubov Transformation Formalism","authors":"Gedefaw Mebratie, Tigabu Bekele","doi":"10.1155/2023/9556764","DOIUrl":"https://doi.org/10.1155/2023/9556764","url":null,"abstract":"The main focus of this article is to investigate the theoretical interplay of magnetism and superconductivity in a two-band model for the iron-based superconductor Ba1−xKxFe2As2. On the basis of experimental results, the two-band model Hamiltonian was considered. We obtained mathematical statements for the superconductor Ba1−xKxFe2As2 superconducting (SC) transition temperature, spin-density-wave (SDW), transition temperature, superconductivity order parameter, and SDW order parameter from the Bogoliubov transformation formalism and the model Hamiltonian. Furthermore, an expression for the dependence of the SDW transition temperature on the SDW order parameter and the dependence of the SC transition temperature on the SDW order parameter was obtained for Ba1−xKxFe2As2. By substituting the experimental and theoretical values of the parameters in the derived statements, phase diagrams of the SC transition temperature versus the SDW order parameter and the SDW transition temperature versus the SDW order parameters have been plotted to demonstrate the dependence of the SDW order parameter on transition temperatures. By combining the two-phase diagrams, we depicted the possible coexistence of superconductivity and magnetism for the Ba1−xKxFe2As2 superconductor. The phase diagrams of temperature versus SC order parameter and temperature versus SDW order parameter were also plotted to show the dependence of order parameters on temperature for the Ba1−xKxFe2As2 superconductor.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2023-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75359285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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