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Journal articles on the topic 'Optical properties: Band gap'

Author: Grafiati

Published: 5 June 2025

Last updated: 2 August 2025

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1

Almo'men, Bellah Alawnah, Yousef Hayajneh Ola, and Hayajneh Rajaa. "Factors that Affect Optical Properties of SemiconductorMaterials." International Journal of Innovative Science and Research Technology 8, no. 3 (2023): 1090–93. https://doi.org/10.5281/zenodo.7780011.

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Semiconductors has many characteristics and properties, such as optical properties that relates to the changes in the reflective index (n), extinction coefficient (k), single oscillator parameters, intensity, and the band gap energy. Factors that affect optical properties of semiconductor materials were investigated, ten papers that related to this topic were reviewed, in order to study these factors. It’s found that with the increase of the gamma dose, using surfactant, and using a passiveagent such as CeO2 cause a reduction in the band gap energy, while using elements from group I incr

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Imai, Motoharu, Takahiro Yamada, and Hisanori Yamane. "Electronic structure and optical properties of NaSi." Japanese Journal of Applied Physics 61, no. 3 (2022): 031004. http://dx.doi.org/10.35848/1347-4065/ac4d45.

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Abstract The electronic structure and optical properties of NaSi were investigated using first-principles calculations and diffuse reflectance measurements. The calculation indicates that NaSi is an indirect band gap semiconductor whose valence band maxima and conduction band minima are located at a k-point between the Γ and X points and at the Y point, respectively. NaSi has several direct band gaps, which are approximately 0.1 eV larger than the indirect band gap, leading to its large optical absorption coefficient near the indirect band gap. The valence bands originate from Si-3p states and

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3

Zhang, Gai Mei, Can Wang, Yan Jun Guo, Wang Wei, and Xiao Xiang Song. "Preparation and Optical Properties of One-Dimensional Ag/SiOx Photonic Crystal." Applied Mechanics and Materials 576 (June 2014): 27–31. http://dx.doi.org/10.4028/www.scientific.net/amm.576.27.

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The photonic crystal has the property that electromagnetic waves with interval of frequency in photonic band gap (PBG) can not be propagated, so it has important applying and researching value. The traditional one-dimensional photonic crystal is with narrow band gap width, and the reflection within the band is small, especially the band gap is sensitive to the incident angle and the polarization of light. A new photonic band gap (PBG) structure, metallodielectric photonic crystal by inserting metal film in the medium can overcomes the shortcomings mentioned above. The one-dimensional Ag/SiOx p

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4

Journal, Baghdad Science. "Optical properties of CdO thin films." Baghdad Science Journal 7, no. 1 (2010): 10–13. http://dx.doi.org/10.21123/bsj.7.1.10-13.

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Cadmium Oxide thin films were deposited on glass substrate by spray pyrolysis technique at different temperatures (300,350,400, 500)oC. The optical properties of the films were studied in this work. The optical band-gap was determined from absorption spectra, it was found that the optical band-gap was within the range of (2.5-2.56)eV also width of localized states and another optical properties.

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5

Ullah, Hadaate, Ridoanur Rahaman, and Shahin Mahmud. "Optical Properties of Cadmium Oxide (CdO) Thin Films." Indonesian Journal of Electrical Engineering and Computer Science 5, no. 1 (2017): 81. http://dx.doi.org/10.11591/ijeecs.v5.i1.pp81-84.

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<p>Cadmium (Cd) is a soft, silver-white or blue lustrous metal typically found in mineral deposits with lead, zinc and copper. Cadmium Oxide thin films have been prepared on a glass substrate at 350<sup>0</sup>C temperature by implementing the Spray Pyrolysis method. The direct and indirect band gap energies are determined using spectral data. The direct and indirect band gap energies decrease with the increasing film thickness. It is noted that for the same film thickness the direct band gap energy is greater than indirect band gap energy. The transmittance increases with th

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Ahmad, Sardar, Hamide Vaizie, H. A. Rahnamaye Aliabad, et al. "First-principles studies of pure and fluorine substituted alanines." International Journal of Modern Physics B 30, no. 14 (2016): 1650079. http://dx.doi.org/10.1142/s021797921650079x.

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This paper communicates the structural, electronic and optical properties of L-alanine, monofluoro and difluoro substituted alanines using density functional calculations. These compounds exist in orthorhombic crystal structure and the calculated structural parameters such as lattice constants, bond angles and bond lengths are in agreement with the experimental results. L-alanine is an indirect band gap insulator, while its fluorine substituted compounds (monofluoroalanine and difluoroalanine) are direct band gap insulators. The substitution causes reduction in the band gap and hence these opt

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7

Sabov, V. I., I. E. Barchii, M. Piasecki, et al. "OPTICAL PROPERTIES of the TlSbP2Se6 SINGLE CRYSTALL." Scientific Bulletin of the Uzhhorod University. Series «Chemistry» 51, no. 1 (2024): 34–38. http://dx.doi.org/10.24144/2414-0260.2024.1.34-38.

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The scientific interest in TlSbP2Se6 compound is due to a number of factors. Firstly, this compound is characterized by congruent melting behavior, which allows obtaining high-quality bulk single crystals by the method of directional crystallization using the Bridgman technique. Secondly, it is characterized by an acentric 2 D layered structure. Previous studies of TlSbP2Se6 single crystals were limited to optimizing the conditions for growing single crystals, refinig its crystal structure, determining its qualitative and quantitative composition, determining the optical transparency region, a

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8

SHIOMI, Shoma, Kei ARIMA, Miho KAWAI, et al. "Optical Properties of Wide Band-Gap Semiconductor ZnMgSTe." Journal of the Society of Materials Science, Japan 73, no. 10 (2024): 774–77. http://dx.doi.org/10.2472/jsms.73.774.

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9

Köferstein, Roberto. "Semiconducting properties of Ge-doped BaSnO3 ceramic." Journal of Alloys and Compounds 506 (July 7, 2010): 678–82. https://doi.org/10.1016/j.jallcom.2010.07.041.

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The electrical and optical properties of Ge-doped BaSnO3 ceramics sintered at various temperatures have been investigated to determine their semiconductor behavior. The electrical conductivity of Ge-doped BaSnO3 samples increases with increase in temperature, confirming that the samples exhibit a semiconductor behavior. A maximum conductivity value of 6.31 × 10−9 S/cm was observed for the sample sintered at 1200 °C. The optical band gaps of the Ge-doped BaSnO3 samples were determined by means of reflectance spectra. The variation of optical band gap with temperature was analyze

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10

Li, Yin, Chuanghua Yang, Liyuan Wu, and Ru Zhang. "Electrical and optical properties of Si-doped Ga2O3." Modern Physics Letters B 31, no. 15 (2017): 1750172. http://dx.doi.org/10.1142/s021798491750172x.

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The charge densities, band structure, density of states, dielectric functions of Si-doped [Formula: see text]-Ga2O3 have been investigated based on the density functional theory (DFT) within the hybrid functional HSE06. The heavy doping makes conduction band split out more bands and further influences the band structure. It decreases the band gap and changes from a direct gap to an indirect gap. After doping, the top of the valence bands is mainly composed by the O-2p states, Si-3p states and Ga-4p states and the bottom of the conduction bands is almost formed by the Si-3s, Si-3p and Ga-4s orb

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11

KASHIF, M., A. SHAHZAD, N. NASIR, et al. "ELECTRONIC AND OPTICAL PROPERTIES MODULATION OF LaCuOSe BY STRAIN." Journal of Ovonic Research 17, no. 1 (2021): 45–51. http://dx.doi.org/10.15251/jor.2021.171.45.

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Due to promising properties of wide band gap semiconductor, they are used in optoelectronic applications. LaCuOSe is a wide bandgap semiconductor with band gap of 2.8ev and shows extraordinary optoelectronic properties, high hole mobility and stable excitons. To study the effect of strain on the electronic and optical properties of LaCuOSe these properties were calculated under axial strain by using full potential linearized augmented plane-wave (FP-LAPW) method based on density functional theory (DFT) within GGA functional. The computed structural lattice parameters are in good agreement with

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12

Huang, Bo, Guan Nan He, and Hui Dong Yang. "The Optical Properties of Sputtered ZnO Films." Advanced Materials Research 97-101 (March 2010): 1425–28. http://dx.doi.org/10.4028/www.scientific.net/amr.97-101.1425.

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The ZnO films were deposited on quartz glass substrate by RF magnetron sputtering. The ZnO films are highly c-axis oriented with the (002) plane parallel to the substrate. The grains size estimated by the XRD diffraction rises with increase in the Ar/O2 ratio. The optical absorption edge and the near absorption edge characteristics of ZnO films have also been investigated. The optical band gaps of the films have been evaluated from the absorption coefficient of ZnO films. It is found that the value of the optical band gap varys from 3.26 eV to 3.32 eV due to the energy gap enhancement induced

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13

Rudysh, M. Ya, O. V. Smitiukh, G. L. Myronchuk, S. M. Ponedelnyk, and O. V. Marchuk. "Band Structure Calculation and Optical Properties of Ag3AsS3 Crystals." Physics and Chemistry of Solid State 24, no. 1 (2023): 17–22. http://dx.doi.org/10.15330/pcss.24.1.17-22.

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In the study, band structure calculation in the points of high symmetry of the first Brillouin zone and alongside the lines that connect them has been derived by using CASTEP programs in which the pseudopotential method with the basis in the form of plane-waves is realized. The calculated value of the lattice parameters using GGA functional is well correlated with experimental data. According to the band diagram that was built for the Ag3AsS3 crystal using GGA method, band gap has an indirect type. The calculated value of the band gap is = 1.22 еV. The experimental value of the band gap obtain

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14

Pakardin, G., D. Chinna Venkata Subbaiah, S. v та ін. "Structural and Optical Properties of Hydrothermally Synthesized Co0.3Zn0.7AlxFe2−𝑥O4 (x = 0.2 – 0.8) Nanoparticles". Indian Journal Of Science And Technology 18, № 1 (2025): 51–58. https://doi.org/10.17485/ijst/v18i1.3822.

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Objectives: Investigations on structural and optical studies of Co0.3Zn0.7AlxFe2-xO4 (x = 0.2 – 0.8)/CZAFO nanoparticles synthesized through hydrothermal method are presented in this paper. Methods: Co0.3Zn0.7AlxFe2-xO4 (x = 0.2 – 0.8) samples are synthesized by hydrothermal method. Structural and Optical characterization of the samples is done by using X-ray diffraction (XRD), photoluminescence (PL), UV-Vis spectrophotometer and Fourier transform infrared spectroscopy (FTIR). Findings: The spinel cubic structure is established with the X-Ray Diffraction pattern. The crystallite size values ra

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15

Yang, Xiufan, Xinmao Qin, Wanjun Yan, Chunhong Zhang, Dianxi Zhang, and Benhua Guo. "Electronic Structure and Optical Properties of Cu2ZnSnS4 under Stress Effect." Crystals 12, no. 10 (2022): 1454. http://dx.doi.org/10.3390/cryst12101454.

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By using the pseudopotential plane-wave method of first principles based on density functional theory, the band structure, density of states and optical properties of Cu2ZnSnS4 under isotropic stress are calculated and analyzed. The results show that Cu2ZnSnS4 is a direct band gap semiconductor under isotropic stress, the lattice is tetragonal, and the band gap of Cu2ZnSnS4 is 0.16 eV at 0 GPa. Stretching the lattice causes the bottom of the conduction band of Cu2ZnSnS4 to move toward lower energies, while the top of the valence band remains unchanged and the band gap gradually narrows. Squeez

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16

Ahmad, Javed, Syed Hamad Bukhari, M. Tufiq Jamil, Mehr Khalid Rehmani, Hammad Ahmad, and Tahir Sultan. "Lattice Dynamics and Transport Properties of Multiferroic DyMn2O5." Advances in Condensed Matter Physics 2017 (2017): 1–8. http://dx.doi.org/10.1155/2017/5389573.

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We have investigated the optical and electrical properties of polycrystalline DyMn2O5synthesized by sol-gel method. Analysis of the reflectivity spectrum has led to the observation of 18 infrared (IR) active phonon modes out of 36 predicted ones. We discuss the results in terms of different phonon bands originated as a result of atomic vibrations. Moreover, the optical energy band gap ofEg(OC)~1.78 eV has been estimated from optical conductivity(σ1(ω))spectrum. The energy band gap and optical transitions were also determined from UV-visible absorption spectrum and band gap ofEg(UV)~1.57 eV was

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17

Alkhayatt, Adel, Azhar Abdul Wahab H., and Ali Abdulhussein Hameed. "Optical band gap Modification and Photodetector Properties of Au NPs Doped CuZnS Thin Films." Journal of Kufa Physics 10, no. 01 (2018): 95–107. http://dx.doi.org/10.31257/2018/jkp/100115.

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18

Bandiello, Enrico, Josu Sánchez-Martín, Daniel Errandonea, and Marco Bettinelli. "Pressure Effects on the Optical Properties of NdVO4." Crystals 9, no. 5 (2019): 237. http://dx.doi.org/10.3390/cryst9050237.

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We report on optical spectroscopic measurements in pure NdVO4 crystals at pressures up to 12 GPa. The influence of pressure on the fundamental absorption band gap and Nd3+ absorption bands has been correlated with structural changes in the crystal. The experiments indicate that a phase transition takes place between 4.7 and 5.4 GPa. We have also determined the pressure dependence of the band-gap and discussed the behavior of the Nd3+ absorption lines under compression. Important changes in the optical properties of NdVO4 occur at the phase transition, which, according to Raman measurements, co

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19

Aziz, N. A. A., M. F. Achoi, Saifollah Abdullah, and Mohamad Rusop Mahmood. "Structural and Optical Properties of Nanohybrid PMMA/TiO₂." Advanced Materials Research 667 (March 2013): 63–67. http://dx.doi.org/10.4028/www.scientific.net/amr.667.63.

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Preparation of nanohybrid PMMA/TiO2 hybrid was reported by using mixture sol-gel spin coating method. This studied involve modification band gap of TiO2 at different molar concentration of TTiB precursor. AFM image show TiO2 particles encapsulated with PMMA matrix. From UV-Vis spectroscope, we have found as increase of TTiB precursor molar concentration, optical band gap is 3.34 eV, increase in UV-range from 3.25 eV. This study suggested for improvement of optical band gap TiO2 coated glass.

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20

AKPINAR, Ömer, Ahmet BİLGİLİ, Mustafa ÖZTÜRK, and Süleyman ÖZÇELİK. "Optical Properties of AlInN/AlN HEMTs in Detail." Karadeniz Fen Bilimleri Dergisi 12, no. 2 (2022): 521–29. http://dx.doi.org/10.31466/kfbd.954421.

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In this study, the optical properties of AlInN/AlN high electron mobility transistor (HEMT) structure, grown on c-oriented sapphire with Metal-Organic Chemical Vapor Deposition (MOCVD) technique, being investigated. Optical characterization is made Kubelka- Munk method. Transmittance, absorbance, and reflectance are investigated in detail. Also, the Kubelka-Munk theory is employed to determine the forbidden energy band gap of InN by using special functions. The energy band gap obtained by this method was compared.

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21

Xu, Bao Yu, Hui Dong Yang, Bo Huang, and Jun Dai Shi. "Hydrogen Dilution Influence on the SIC Films Optical and Micro-Structural Properties as the Window Layer of P-i-n Solar Cell." Advanced Materials Research 216 (March 2011): 266–70. http://dx.doi.org/10.4028/www.scientific.net/amr.216.266.

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The SiC thin films as the window layer was prepared by PECVD technology in this article, investigated the influence of hydrogen dilution on the optical and micro-structural properties of SiC thin films, Analyzed optical band-gap，deposition rate and surface morphology under different hydrogen dilution ratio, found the optimal growth craft under the same conditions. The results showed that the optical band-gap of the window layer achieved the widest 2.2ev when hydrogen dilution rate was 6.25.

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22

Xia, Congxin, Yu Jia та Qiming Zhang. "Electronic structures and optical properties of α-Fe2O3-xSex alloys for solar absorber". Modern Physics Letters B 29, № 12 (2015): 1550050. http://dx.doi.org/10.1142/s0217984915500505.

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The band structures and optical properties of α- Fe 2 O 3-x Se x alloys are studied by means of first-principles methods, considering different Se contents x. Numerical results show that Se content has an obvious influence on band structures and optical properties of α- Fe 2 O 3-x Se x alloys. The band gap values of α- Fe 2 O 3-x Se x alloys decrease monotonically when Se concentrations increase, resulting in an obvious increase of the optical absorption edge in the visible range. In particular, our results show that α- Fe 2 O 3-x Se x alloys have the direct band gap properties with band gap v

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23

Petrovic, Milica, Martina Gilic, Jovana Cirkovic, et al. "Optical properties of CuSe thin films - band gap determination." Science of Sintering 49, no. 2 (2017): 167–74. http://dx.doi.org/10.2298/sos1702167p.

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Copper selenide thin films of three different thicknesses have been prepared by vacuum evaporation method on a glass substrate at room temperature. The optical properties of the films were investigated by UV-VIS-NIR spectroscopy and photoluminescence spectroscopy. Surface morphology was investigated by field-emission scanning electron microscopy. Copper selenide exhibits both direct and indirect transitions. The band gap for direct transition is found to be ~2.7 eV and that for indirect transition it is ~1.70 eV. Photoluminescence spectra of copper selenide thin films have also been analyzed,

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24

Huang, Xiaoming, Mengyao Ma, Li Cheng та Lizhao Liu. "Hydrogenated ψ-graphene: Band gap engineering and optical properties". Physica E: Low-dimensional Systems and Nanostructures 115 (січень 2020): 113701. http://dx.doi.org/10.1016/j.physe.2019.113701.

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25

Sharma, Sheetal, and Manoj Kumar. "Band gap tuning and optical properties of BiFeO3 nanoparticles." Materials Today: Proceedings 28 (2020): 168–71. http://dx.doi.org/10.1016/j.matpr.2020.01.496.

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26

Amtout, A., and R. Leonelli. "Optical properties of rutile near its fundamental band gap." Physical Review B 51, no. 11 (1995): 6842–51. http://dx.doi.org/10.1103/physrevb.51.6842.

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27

Lin, Zhiwen, Zean Tian, Weifu Cen, and Qinghua Zeng. "Monolayer black phosphorus: Tunable band gap and optical properties." Physica B: Condensed Matter 657 (May 2023): 414780. http://dx.doi.org/10.1016/j.physb.2023.414780.

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28

Tański, T., and W. Matysiak. "Optical properties of PVP/ZnO composite thin films." Journal of Achievements in Materials and Manufacturing Engineering 1, no. 82 (2017): 5–11. http://dx.doi.org/10.5604/01.3001.0010.2071.

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Purpose: The aim of the work was the preparation of thin composite layers from PVP polymer doped by ZnO nanoparticles using the spin coating method and the analysis of the applied reinforcing phase on the morphology and optical properties of obtained composites. Design/methodology/approach: To analyse the morphology of thin coatings a technique of surface topography imaging using the atomic force microscopy (AFM) was applied. Analysis of the optical properties was conducted using absorbance spectrum in function of wavelength for all produced thin coatings using UV-Vis spectroscopy. Findings: A

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29

Song, Myoung Geun, Jun Young Han, and Chung Wung Bark. "Effects of Doping Ratio of Cobalt and Iron on the Structure and Optical Properties of Bi3.25La0.75FexCo1–xTi2O12 (x = 0, 0.25, 0.5, 0.75, 1)." Journal of Nanoscience and Nanotechnology 15, no. 10 (2015): 7841–44. http://dx.doi.org/10.1166/jnn.2015.11183.

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The wide band gap of complex oxides is one of the major obstacles limiting their use in photovoltaic cells. To identify an effective route for tailoring the band gap of complex oxides, this study examined the effects of cobalt and iron doping on lanthanum-modified Bi4Ti3O12-based oxides synthesized using a solid reaction. The structural and optical properties were analyzed by X-ray diffraction and ultraviolet-visible absorption spectroscopy. As a result, the optimal iron to cobalt doping ratio in bismuth titanate powder resulted in an ∼1.8 eV decrease in the optical band gap. This new route to

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30

Xiong, Qihang, Weifu Cen, Xingtong Wu, and Cong Chen. "Effect of warpage on the electronic structure and optical properties of bilayer germanene." Journal of Semiconductors 43, no. 12 (2022): 122102. http://dx.doi.org/10.1088/1674-4926/43/12/122102.

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Abstract The electronic structure and optical properties of bilayer germanene under different warpages are studied by the first-principles method of density functional theory. The effects of warpages on the electronic structure and optical properties of bilayer germanene are analyzed. The results of the electronic structure study show that the bottom of the conduction band of bilayer germanene moves to the lower energy direction with the increase of warpages at the K point, and the top of the valence band stays constant at the K point, and so the band gap decreases with the increase of warpage

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Noory, Maha Hassan, and Zaid A. Hasan. "Influence the Addition (SiO2) Nanoparticles on Optical Properties for Methylene Blue Dye." NeuroQuantology 20, no. 1 (2022): 143–49. http://dx.doi.org/10.14704/nq.2022.20.1.nq22068.

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Thin films from methylene blue dye dopant with silicon oxide nanoparticles (semiconducting) with percentages (0, 0.01, 0.03 and 0.05%) with a thickness of 0.001 nm, had been prepared in this research. The effect of silicon oxide impurities in methylene blue dye on the optical properties (absorption, absorbance coefficient, transmittance, energy band-gap for the forbidden and permissible electronic transitions, refractive index, extinction coefficient, dielectric constant with its real and imaginary particles, and photoconductivity) was investigated by Spectrophotometer route in the visible ran

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32

Lin, Jia Qi, Jing Leng, Ming Hui Xia, Jun Hui Shi, and Qing Guo Chi. "Polyimide Electronic Structural and Optical Properties from First Principles Calculations." Materials Science Forum 694 (July 2011): 597–601. http://dx.doi.org/10.4028/www.scientific.net/msf.694.597.

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The electronic structural and optical properties of Polyimide (PI) are studied by first principle method of density theory. It is shown that molecules orbit contribution of PI is derived from carbon 2p orbital and oxygen 2p orbital, respectively,and the band gap from the energy band structure is much smaller than that of the experimental value. It is also found that the band gap calculated from the absorption edge of absorption spectra is in agreement with the result of the energy band structure. Furthermore, the relationship between the formation of dielectric function peaks and other spectra

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Limpijumnong, Sukit, Sergey N. Rashkeev, and Walter R. L. Lambrecht. "Electronic Structure and Optical Properties of ZnGeN2." MRS Internet Journal of Nitride Semiconductor Research 4, S1 (1999): 600–605. http://dx.doi.org/10.1557/s1092578300003112.

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The electronic band structure, structural and bonding, and some linear and nonlinear optical properties are calculated for a new ternary nitride compound ZnGeN2 using first-principles methods. Good agreement is obtained with crystallographic data and with absorption data on the band gap. The prospects for use as nonlinear optical material are discussed.

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Song, Myoung Geun, Jun Young Han, and Chung Wung Bark. "The Effect of Annealing Temperature on the Bandgap of Bi3.25La0.75FeTi2O12 Powders." Journal of Nanoscience and Nanotechnology 15, no. 10 (2015): 8195–98. http://dx.doi.org/10.1166/jnn.2015.11275.

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In recent years, there has been increasing interest in the bandgap engineering of ferroelectric oxides to improve absorbance of the solar spectrum, which is governed by their band gap. To enhance the photovoltaic efficiency by tuning the optical bandgap of complex oxides, an attempt was recently made to reduce the optical band gap of iron doping of lanthanum-modified Bi4Ti3O12-based oxides (Fe-BLT) using oxygen vacancy doping. To study the tunability of the optical band gap from the generation of oxygen vacancies, the thermal treatment time and temperature were controlled during heat treatment

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35

Evingür, Gülşen Akın, Nafia Alara Sağlam, Büşra Çimen, Bengü Özuğur Uysal, and Önder Pekcan. "The WS2 dependence on the elasticity and optical band gap energies of swollen PAAm composites." Journal of Composite Materials 55, no. 1 (2020): 71–76. http://dx.doi.org/10.1177/0021998320944210.

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New generation nano-filler polymer composites have many applications including biomedical, electronic and maritime related applications because of their mechanical, electronic and optical properties. The properties of composites were investigated as a function of nano-filler content. Among these, tungsten disulfide (WS2) has the potential to be used as a component in electronic devices owing to its high electron mobility and easily tunable optical band gap energy. Tungsten disulfide (WS2)- Polyacrylamide (PAAm) composite was prepared using free radical co-polymerization and wet laboratory meth

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36

Krivosheeva, A. V., and V. L. Shaposhnikov. "The structure and optical properties of semiconductor nitrides MgSiN<sub>2</sub>, MgGeN<sub>2</sub>, ZnSiN<sub>2</sub>, ZnGeN<sub>2</sub>." Proceedings of the National Academy of Sciences of Belarus. Physics and Mathematics Series 58, no. 4 (2023): 424–30. http://dx.doi.org/10.29235/1561-2430-2022-58-4-424-430.

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Theoretical modeling within LDA, GGA, and PBE approximations was herein performed to determine the electronic band structures of MgGeN2, MgSiN2, ZnGeN2, and ZnSiN2 nitride compounds and their optical properties. It is established that the compounds with germanium are direct-gap semiconductors with the band gap values of 3.0 eV (MgGeN2) and 1.7 eV (ZnGeN2), while the silicon-based compounds are indirect-gap semiconductors with the band gap values of 4.6 eV (MgSiN2) and 3.7 eV (ZnSiN2). Optical properties analysis showed the prospects of using MgGeN2 and ZnGeN2 in optoelectronics.

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Yang, H. Y., Q. F. Li, and Z. H. Liu. "Electronic and optical properties of 2H-perovskite related tantalum/niobium oxides." Modern Physics Letters B 31, no. 34 (2017): 1750323. http://dx.doi.org/10.1142/s0217984917503237.

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Quasi-one-dimensional oxides [Formula: see text] (A = Ba, Sr; [Formula: see text] = Na, Li and B = Ta, Nb) have been synthesized and found to display efficient photoluminescence. Their electronic and optical properties are calculated by using first-principles calculations. The modified Becke–Johnson exchange potential has been used to obtain accurate band gap. Our results reveal that alkali metal and alkaline-earth metal ions have very small contribution to the states around Fermi level, and for these compounds, the top valence bands and the conduction band bottom are dominated by O-2p and Nb/

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38

Qiu, Zheng Rong, and Hong Yu. "Optical Properties of Silicon Quantum Dots." Key Engineering Materials 483 (June 2011): 760–64. http://dx.doi.org/10.4028/www.scientific.net/kem.483.760.

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A first-principles study of the optical properties of silicon quantum dots (Si QDs) with different diameters is presented in this paper. Si QDs consisting of 10-220 Si atoms, the corresponding diameter ranges from 6-20 Å, with full termination of the Si interface with H are investigated in detail. The results show that both the band gap and the absorption spectrum of Si QDs are size-dependent. For Si QDs with diameter ranges from 6-20 Å, as the diameter decreases, the band gap increases, and a considerable blue-shift in the absorption spectrum is occurred. This unique property can be used to e

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Journal, Baghdad Science. "The effects of raddiation on the optical properties of GERMANIUM SELENIDE semiconductor." Baghdad Science Journal 1, no. 2 (2004): 326–29. http://dx.doi.org/10.21123/bsj.1.2.326-329.

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Study was made on the optical properties of Ge2oSe8othinfilms prepared by vac-uum evaporation as radiated by (0,34,69) Gy of 13 ray.The optical band gab Eg and tailing band A.Et were studied in the photon energy range ( 1 to 3)eV. The a-Ge20Se8o film was found to be indirect gap with energy gap of (1.965,1.9 , 1.82) eV at radiated by B ray with absorption doses of (0,34,69)Gy respectively.The Ea and AEt of Ge20Se80 films showed adecrease in E8 and an increase in AEt with radiation. This be-havior may be related to structural defects and dangling bonds.

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Muth, J. F., J. D. Brown, M. A. L. Johnson, et al. "Absorption Coefficient and Refractive Index of GaN, AlN and AlGaN Alloys." MRS Internet Journal of Nitride Semiconductor Research 4, S1 (1999): 502–7. http://dx.doi.org/10.1557/s1092578300002957.

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The design of optoelectronic devices fabricated from III-nitride materials is aided by knowledge of the refractive index and absorption coefficient of these materials. The optical properties of GaN, AlN and AlGaN grown by MOVPE on sapphire substrates were investigated by means of transmittance and reflectance measurements. Thin (less than 0.5 μm) single crystal films were employed to insure that transmission measurements could be obtained well above the optical band gap. The influence of alloy broadening on the absorption edge was investigated by using a series of AlGaN alloy samples with a ra

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Tołłoczko, Agata, Robert Oliva, Tomasz Woźniak, Jan Kopaczek, Paweł Scharoch, and Robert Kudrawiec. "Anisotropic optical properties of GeS investigated by optical absorption and photoreflectance." Materials Advances 1, no. 6 (2020): 1886–94. http://dx.doi.org/10.1039/d0ma00146e.

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YOUSAF, MASOOD, M. A. SAEED, AHMAD RADZI MAT ISA, H. A. RAHNAMAYE ALIABAD, and N. A. NOOR. "AB INITIO STUDY OF OPTOELECTRONIC PROPERTIES OF SPINEL ZnAl2O4 BEYOND GGA AND LDA." International Journal of Modern Physics B 26, no. 32 (2012): 1250198. http://dx.doi.org/10.1142/s0217979212501986.

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Electronic band structure and optical parameters of ZnAl 2 O 4 are investigated by first-principles technique based on a new potential approximation, known as modified Becke–Johnson (mBJ). This method describes the excited states of insulators and semiconductors more accurately The recent direct band gap result by EV-GGA is underestimated by about 15% compared to our band gap value using mBJ-GGA. The value of the band gap of ZnAl 2 O 4 decreases as follows: Eg (mBJ-GGA/LDA) > Eg (GGA) > Eg (LDA) . The band structure base optical parametric quantities (dielectric constant, index of refrac

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Wei, Qun, Quan Zhang, Haiyan Yan, Meiguang Zhang, and Junqin Zhang. "Strain effects on the modulation of band gap and optical properties of direct band gap silicon." Materials Research Bulletin 102 (June 2018): 1–7. http://dx.doi.org/10.1016/j.materresbull.2018.02.008.

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SAJID, A., G. MURTAZA, and A. H. RESHAK. "SHIFT OF BAND GAP FROM DIRECT TO INDIRECT AND OPTICAL RESPONSE OF LiF UNDER PRESSURE." Modern Physics Letters B 27, no. 09 (2013): 1350061. http://dx.doi.org/10.1142/s0217984913500619.

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We hereby are reporting the transition pressure at which lithium fluoride ( LiF ) compound transforms from direct band gap to indirect band gap insulator on the basis of FP-LAPW calculations. The fundamental band gap of LiF compound suffers direct to indirect transition at a pressure of 70 GPa. The study of the pressure effect on the optical properties e.g. dielectric function, reflectivity, refractive index and optical conductivity of LiF in the pressure between 0–100 GPa, shows that this pressure range is very critical for LiF compound as there are significant changes in the optical properti

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Aggarwal, Rekha, and Deepak Kumar Kaushik. "Structural and Optical Studies on Sol-Gel Driven Spin-Coated CdS Thin Films." Journal of Physics: Conference Series 2267, no. 1 (2022): 012012. http://dx.doi.org/10.1088/1742-6596/2267/1/012012.

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Abstract Inorganic wide band gap semiconductors are considered as best for optoelectronic devices such as photovoltaic cells, photodetectors, thin film transistors etc. CdS is a more promising semiconductor due to its direct wide band-gap ∼ 2.42 eV and size dependent optical properties. In the present article, structural and optical properties of spin coated CdS thin films are investigated. CdS thin films are annealed at 400 °C for 60 minutes to improve crystalline quality. X-RAY diffraction pattern reveals (002) diffraction plane of wurtzite CdS. The optical properties are analyzed by UV-Visi

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Eraiah, B. "Optical Properties of Silver-Vanadium-Phosphate Glasses." Mapana - Journal of Sciences 16, no. 1 (2017): 1–7. http://dx.doi.org/10.12723/mjs.40.1.

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The glasses with the composition of xAg2O-50V2O5-(50-x)P2O5 (where x = 5,10,15,20,30 and 40 mol%) were synthesized using melt quenching technique and their optical properties were carried out through UV-Visible spectrophotometer. The absorption spectra of these glasses were recorded at room temperature in the wavelength range 200-1100nm. The optical band gap energies were calculated using Tauc plot. The calculatedenergy band gap values are ranging from 2.075 to 2.834 eV. The refractive index and polarizabilities of oxide ions have been calculated using Lorentz-Lorentz relation. The calculated

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Bensaid, Djillali, Mohammed Ameri, Nadia Benseddik, Ali Mir, Nour Eddine Bouzouira, and Fethi Benzoudji. "Band Gap Engineering of Cd1-xBexSe Alloys." International Journal of Metals 2014 (May 13, 2014): 1–7. http://dx.doi.org/10.1155/2014/286393.

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The structural and electronic properties of the ternary Cd1-xBexSe alloys have been calculated using the full-potential linear muffin-tin-orbital (FP-LMTO) method based on density functional theory within local density approximation (LDA). The calculated equilibrium lattice constants and bulk moduli are compared with previous results. The concentration dependence of the electronic band structure and the direct and indirect band gaps are investigated. Moreover, the refractive index and the optical dielectric constant for Cd1-xBexSe are studied. The thermodynamic stability of the alloys of inter

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Acosta, M., I. Riech, and E. Martín-Tovar. "Effects of the Argon Pressure on the Optical Band Gap of Zinc Oxide Thin Films Grown by Nonreactive RF Sputtering." Advances in Condensed Matter Physics 2013 (2013): 1–6. http://dx.doi.org/10.1155/2013/970976.

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Zinc oxide (ZnO) thin films were grown by nonreactive RF sputtering at room temperature under varying argon pressures (PAr). Their optical band gap was found to increase from 3.58 to 4.34 eV when the argon pressure increases from 2.67 to 10.66 Pa. After annealing at 200°C and 500°C, optical band gaps decrease considerably. The observed widening of the band gap with increasingPArcan be understood as being a consequence of the poorer crystallinity of films grown at higher pressures. Measurements of morphological and electrical properties of these films correlate well with this picture. Our main

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Bletskan, D. I., V. V. Vakulchak, I. L. Mykaylo, and O. A. Mykaylo. "Preparation, electronic structure and optical properties of Na2GeSe3 crystals." Semiconductor Physics, Quantum Electronics and Optoelectronics 25, no. 1 (2022): 19–29. http://dx.doi.org/10.15407/spqeo25.01.019.

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From the first principles, in the framework of the density functional theory in LDA and LDA+U approximations, the band structure, total and partial densities of electronic states, spatial distribution of the electron charge density, also the optical functions: dielectric constant, refractive and absorption indices, reflection and absorption coefficients of Na2GeSе3 crystal have been calculated. According to the calculation results, Na2GeSе3 is a direct-gap crystal with the top of valence band and the bottom of conduction band at the point Г of Brillouin zone. The calculated band gap is Egd = 1

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Salwa, A. S., and Azza El-Sayed Ahmed. "Characteristics and Optical Properties of Bi2Te2.45Se0.55 Thin Film." 1, no. 1 (March 17, 2022): 58–65. http://dx.doi.org/10.26565/2312-4334-2022-1-08.

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Thermally evaporated Bi2Te2.45Se0.55 thin films were examined for structural alterations and electrical conductivity. Crystallite size, micro-strain, and dislocations were all calculated using the XRD data. By using transmission electron microscopy, the morphology of thin films was investigated (TEM). The study was performed within a temperature range of (300 – 500) K. The electrical energy gap and the conductivity of the as-deposited and annealed (373, 473K) Bi2Te2.45Se0.55 films were measured. The obtained values are (0.27, 0.26, 0.24 eV) and 3.6×103, 3.7×103 and 4.1×103 ohm-1.cm-1 respectiv

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