Newtonian mechanics based hybrid machine learning method of characterizing energy band gap of doped zno semiconductor

Rahman

2021

Crystals

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Bismuth ferrite (BiFeO3) is a promising multiferroic and multifunctional inorganic chemical compound with many fascinating application potentials in sensors, photo-catalysis, optical devices, spintronics, and information storage, among others. This class of material has special advantages in the photocatalytic field due to its narrow energy band gap as well as the possibility of the internal polarization suppression of the electron-hole recombination rate. However, the narrow light absorption range, which results in a low degradation efficiency, limits the practical application of the compound. Experimental chemical doping through which the energy band gap of bismuth ferrite compound is tailored to the desired value suitable for a particular application is frequently accompanied by the lattice distortion of the rhombohedral crystal structure. The energy band gap of doped bismuth ferrite is modeled in this contribution through the fusion of a support vector regression (SVR) algorithm with a gravitational search algorithm (GSA) using crystal lattice distortion as a predictor. The proposed hybrid gravitational search based support vector regression HGS-SVR model was evaluated by its mean squared error (MSE), correlation coefficient (CC), and root mean square error (RMSE). The proposed HGS-SVR has an estimation capacity with an up to 98.06% accuracy, as obtained from the correlation coefficient on the testing dataset. The proposed hybrid model has a low MSE and RMSE of 0.0092 ev and 0.0958 ev, respectively. The hybridized algorithm further models the impact of several doping materials on the energy band gap of bismuth ferrite, and the predicted energy gaps are in excellent agreement with the measured values. The precision and robustness exhibited by the developed model substantiate its significance in predicting the energy band gap of doped bismuth ferrite at a relatively low cost while the experimental stress is circumvented.

Section: Support Vector Regression Based Algorithmmentioning

confidence: 99%

Section: Support Vector Regression Based Algorithmmentioning

confidence: 99%

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Energy Band Gap Modeling of Doped Bismuth Ferrite Multifunctional Material Using Gravitational Search Algorithm Optimized Support Vector Regression

Rahman

2021

Crystals

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“…. , M. The algorithm addresses the problem through a regression function presented in Equation (1) [27,28].…”

Section: Support Vector Regressionmentioning

confidence: 99%

Modeling the Optical Properties of a Polyvinyl Alcohol-Based Composite Using a Particle Swarm Optimized Support Vector Regression Algorithm

Rahman

2021

Polymers

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We developed particle swarm optimization-based support vector regression (PSVR) and ordinary linear regression (OLR) models for estimating the refractive index (n) and energy gap (E) of a polyvinyl alcohol composite. The n-PSVR model, which can estimate the refractive index of a polyvinyl alcohol composite using the energy gap as a descriptor, performed better than the n-OLR model in terms of root mean square error (RMSE) and mean absolute error (MAE) metrics. The E-PSVR model, which can predict the energy gap of a polyvinyl alcohol composite using its refractive index descriptor, outperformed the E-OLR model, which uses similar descriptor based on several performance measuring metrics. The n-PSVR and E-PSVR models were used to investigate the influences of sodium-based dysprosium oxide and benzoxazinone derivatives on the energy gaps of a polyvinyl alcohol polymer composite. The results agreed well with the measured values. The models had low mean absolute percentage errors after validation with external data. The precision demonstrated by these predictive models will enhance the tailoring of the optical properties of polyvinyl alcohol composites for the desired applications. Costs and experimental difficulties will be reduced.

“…ese unique characteristics have strengthened the applications of the SVR-based algorithms in many areas as solid-state physics [14,15], laser spectroscopy [16,17], and others [18,19]. e parameters attributed to the SVR algorithm control the precision of the model and efficient tuning of the parameters is the bedrock for achieving excellent performance.…”

Section: Introductionmentioning

confidence: 99%

Barium Titanate Semiconductor Band Gap Characterization through Gravitationally Optimized Support Vector Regression and Extreme Learning Machine Computational Methods

Olatunji

Mathematical Problems in Engineering

2021

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Barium titanate (BaTiO3) is a class of ceramic multifunctional materials with unique thermal stability, prominent piezoelectricity constant, excellent dielectric constant, environmental friendliness, and excellent photocatalytic activities. These features have rendered barium titanate indispensable in many areas of applications such as electromechanical devices, thermistors, multilayer capacitors, and electrooptical devices. The photocatalytic activity of barium titanate semiconductor is hindered by its large band gap and high rate of charge recombination. Doping of the parent barium titanate compound for band gap tuning is challenging and consumes appreciable time and other valuable resources. This present work relates the influence of foreign material incorporation into the parent barium titanate with the corresponding energy band gap by developing extreme learning machine- (ELM-) based models and hybridization of support vector regression (SVR) with gravitational search algorithm (GSA) using the structural lattice distortion that emanated from doping as model descriptors. The developed gravitationally optimized SVR (GSVR) is characterized with a low value of mean absolute error (MAE), mean absolute percentage error (MAPE), and root mean square error (RMSE) of 0.036 ev, 1.145 ev, and 0.122 ev, respectively. The developed GSVR model outperforms ELM-Sine and ELM-Sig models using various performance evaluators. The developed GSVR model investigates the significance of iodine and samarium incorporation on the band gap of the parent barium titanate and the attained energy gaps conform excellently to the experimentally reported values. The demonstrated precision of the developed GSVR as measured from the closeness of its estimates with the measured values provides a quick and accurate method of energy gap characterization with circumvention of experimental stress and conservation of valuable time as well as other resources.