Interrelationship between structural, optical, electronic and elastic properties of materials

Reddy, R.R.; Gopal, K. Rama; Narasimhulu, K.; Reddy, L. Siva Sankara; Kumar, Krishan; Balakrishnaiah, G.; Kumar, M. Ravi

doi:10.1016/j.jallcom.2008.06.037

Cited by 109 publications

(57 citation statements)

References 57 publications

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“…It can be seen, that my calculated values of bulk modulus, and microhardness of BAs semiconductor are slightly lower than other theoretical calculations [7], [29], [30], [31] and experimental result [32]. To study the correlation between the bulk modulus B and the energy gap Eg Reddy et al [23] proposed linear relationships. For several III-V, II-IV-V2 and I-III-VI2 group semiconductors, an important formula relates the bulk modulus B and the energy gap Eg was established, it is given as follow [23]:…”

Section: Bulk Modulus and Microhardnessmentioning

confidence: 76%

“…The relevant values of C1 and C2 for III-V, II-IV-V2 and I-III-VI2 group semiconductors are: 13.89 and 46.90 respectively [23]. Using the experimental energy gap Eg = 1.46 eV reported by Chu and Hyslop [12], [13] of BAs material, the value of the bulk modulus B is found to be 67.18 GPa.…”

Section: Bulk Modulus and Microhardnessmentioning

confidence: 82%

“…[17] is only around 1.96 %. At given optical frequency, the dielectric constant ε and the refractive index n are related by Lorentz-Lorenz's formula, it is given by the following expression [8], [23] …”

Section: Optical Propertiesmentioning

confidence: 99%

“…To study the correlation between the bulk modulus B and the energy gap Eg Reddy et al [23] proposed linear relationships. For several III-V, II-IV-V2 and I-III-VI2 group semiconductors, an important formula relates the bulk modulus B and the energy gap Eg was established, it is given as follow [23]:…”

Section: Bulk Modulus and Microhardnessmentioning

confidence: 99%

“…[30]. Another formula was given by Reddy et al [23], which relates the electronic polarizability αp and the bulk modulus B of several materials, it was given as [23] …”

Section: Electronic Polarizabilitymentioning

confidence: 99%

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Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

Daoud

2017

IJPR

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The object of this work is to study the correction between the optical, mechanical and thermal properties of boron arsenide (BAs) material and its experimental optical energy gap. The index of refraction, the high-frequency dielectric constant, the optical electronegativity, the bulk modulus, the micro-hardness, the plasmon energy, the Debye temperature, the melting temperature and the electronic polarizability of BAs were estimated from its energy gap. The results obtained are analyzed in comparison with available experimental and other theoretical data. My obtained results of the reflective index and the dielectric constant agree well with other theoretical data; whereas the bulk modulus, the microhardness, the Debye temperature, and the melting temperature are slightly lower than the experimental and other theoretical data. The electronic polarizability is slightly different than other theoretical ones from the literature.

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Section: Bulk Modulus and Microhardnessmentioning

confidence: 76%

Section: Bulk Modulus and Microhardnessmentioning

confidence: 82%

Section: Optical Propertiesmentioning

confidence: 99%

Section: Bulk Modulus and Microhardnessmentioning

confidence: 99%

“…[30]. Another formula was given by Reddy et al [23], which relates the electronic polarizability αp and the bulk modulus B of several materials, it was given as [23] …”

Section: Electronic Polarizabilitymentioning

confidence: 99%

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Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

Daoud

2017

IJPR

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A Machine Learning‐Assisted Approach to a Rapid and Reliable Screening for Mechanically Stable Perovskite‐Based Materials

Jaafreh

Sharan

Sajjad

et al. 2022

Adv Funct Materials

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The present work is designed to discover new perovskite-based materials, which are expected to show high mechanical stability during their applications, using machine learning (ML) techniques, and based on the Pugh's criterion for distinguishing brittle and ductile behaviors. For this purpose, ML models to predict the moduli of materials, bulk (B) and shear (G), are built using their crystal structure and composition information. The ML process is initiated with the information of 5663 compounds, including composition, crystal structure and moduli, as listed in AFLOW database. Following a procedure of data characteristics, feature generation, feature processing, training, and testing, the ML models are constructed with acceptable accuracy (tenfold cross-validation R 2 score of 0.90 and 0.89 for B and G, respectively). The validation process of the models, which is conducted using the corresponding density functional theory calculations, reveals that these models are reliable to be employed in a largescale screening process. Indeed, the B-and G-based ML models are incorporated in a screening process, and this is also conjugated with other screening criterions, to find out thermodynamically stable and formable perovskite-based materials with improved mechanical performance.

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Structural, electrical, and nonlinear optical performance of PVAL embedded with Li⁺‐ions for multifunctional devices

Ali

Abdelaziz

Nawar

et al. 2020

Polymers for Advanced Techs

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In this paper, pure and 0.04%, 0.19%, 0.4%, 1.9%, and 4% LiNO3‐doped PVAL (polyvinyl alcohol) electrolyte were fabricated in the form of solid films by the casting process. The influence of Li+‐ions on PVAL was identified by some characterization tools such as X‐ray diffraction, FT‐IR (Fourier transform infrared), scanning electron microscope (SEM), thermal gravimetric analysis (TGA), UV‐visible‐NIR spectroscopy, dielectric, and conductivity measurements. X‐ray diffraction studies indicate that the semicrystalline of PVAL and the calculated crystallize size from Gaussian fitting were decreased with Li+‐ions concentration. FT‐IR results indicate that there is strong interaction among doping ions and the matrix. The surface morphology of the electrolyte films was studied via SEM. The optical studies demonstrate that the transmittance of films decreased with the rising of Li+‐ions. Urbach's energy and bandgap are also reduced with adding more ions. Different empirical equations were used to study the relation between the energy gap and the refractive index. The index of refraction of the films has average values in 2.024 to 2.078 range. Li+‐ion concentrations critically influenced the factors of nonlinearity. The calculated values of nonlinear optical susceptibility χ(3) and refractive index n2 were increased from 8.6 × 10−13 esu and 1.55 × 10−11 to 20.56 × 10−10 esu and 2.05 × 10−11, respectively. The dielectric constant and loss measurements of the PVAL embedded with 4% of LiNO3 (SPL‐5) were decreased exponentially with increasing the incident frequency. The AC electrical conductivity (σAC) and nonlinear I‐V curves are enhanced by increasing the Li+‐ion contents. The electrical current was increased with small resistivity for SPL‐5 film. The studied films have an inimitable result in various fields, such as nonlinear optical and varistor devices.

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Interrelationship between structural, optical, electronic and elastic properties of materials

Cited by 109 publications

References 57 publications

Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

A Machine Learning‐Assisted Approach to a Rapid and Reliable Screening for Mechanically Stable Perovskite‐Based Materials

Structural, electrical, and nonlinear optical performance of PVAL embedded with Li⁺‐ions for multifunctional devices

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Interrelationship between structural, optical, electronic and elastic properties of materials

Cited by 109 publications

References 57 publications

Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

A Machine Learning‐Assisted Approach to a Rapid and Reliable Screening for Mechanically Stable Perovskite‐Based Materials

Structural, electrical, and nonlinear optical performance of PVAL embedded with Li+‐ions for multifunctional devices

Contact Info

Product

Resources

About

Structural, electrical, and nonlinear optical performance of PVAL embedded with Li⁺‐ions for multifunctional devices