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1
Content available Electronic, Optical and Transport Properties of HfNiSn under Mn Impurity
Mirmehdi M., Boochani Arash, Masharian Seyedeh Raziyeh
Archives of Metallurgy and Materials
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2023
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Vol. 68, iss. 3
851--860
EN
In this work, the electronic structure and optical behavior and the thermoelectric performance of the known HfNiSn compound have been studied under the substitution of Mn transition metal instead of Ni atoms. Necessary calculations are performed in the framework of DFT first principles studies by applying generalized gradient approximation (PBE-GGA) as well as solving Boltzmann’s semi-classical equations. The entering Mn leads to a change in the electronic structure of HfNiSn and the occurrence of half-metallic ferromagnetic behavior with 100% polarization at the Fermi level. The maximum ZT value obtained for HfMnSn shows that HfNiSn would be suitable for thermoelectric applications at room temperature, both in pure and Mn presence. The examination of optical parameters also indicates good absorption in the visible range for this compound in all cases.
2
Content available Surface Effect on Electronic, Magnetic and Optical Properties of PtCoBi Half-Heusler: A DFT Study
Rezazadeh Hamed, Hantehzadeh Mohamadreza, Boochani Arash
Archives of Metallurgy and Materials
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2022
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Vol. 67, iss. 1
155--166
EN
The electronic, magnetic, and optical properties of PtCoBi half-Heusler compound [001] surfaces and its bulk state have been investigated in the framework of density functional theory using GGA approximation. The half-metallic behaviors of CoBiterm, CoPt-term and PtBi-term decrease with respect to its bulk state. The spin polarization at the Fermi level is 73.2% for the bulk state, and it is -64.4% and -64.1% for the CoBi-term and PtBi-term, respectively while less polarization has been observed for the ­CoPt-term. All terminations have given almost similar optical responses to light. Plasmon oscillations for the terminations occur in the range of 12.5 to 14.5 eV (21 to 22 eV) along xx (zz), and it occurs at 23 eV for the bulk state. The refractive index for the bulk and all three terminations is very high in the infrared and visible areas, meaning a very strong metallic trend in these compounds. The phenomenon of super-luminance occurs for the incident light with energy exceeding 5.5 eV for all three terminations, and it occurs in the range of 10 eV for the bulk mode. These terminations show transparent behavior after the energy of 10 eV.
3
Content available Enhancement of Thermoelectric Efficiency and Optical Properties of Hydrogen Absorption in SiC:Mn Nanotube
Shahraki Amir Toofani, Gol Heydar Ali Shafiei, Kimiagar Salimeh, Dehnavi Naser Zare
Archives of Metallurgy and Materials
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2022
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Vol. 67, iss. 2
397--403
EN
The effects of hydrogen absorption and manganese substitution on structural, electronic, optical, and thermoelectric properties of silicon-carbon nanotubes (SiCNT) are studied using the density functional theory and the GGA approximation. An examination of the PDOS curves and the electronic band structure showed that the Mn substitution leads to an increase in magnetic anisotropy and the occurrence of semi-metallic behavior and that the hydrogen absorption shifts the band gap toward the lower energies. A study of these nanostructures’ thermoelectric behavior reveals that the H absorption leads to a significant escalation in the figure of merit of the SiCNT to about 1.6 in the room temperature range. The effects of the H absorption on this nanotube’s optical properties, including the dielectric functions and its absorption spectra, are also investigated.
4
Content available remote Research on the influence of the filtrating electrode on the structure and optical properties of TiO2 thin films prepared by the energy filtering magnetron sputtering technique
Wang Zhaoyong, Jiang Weifen, Lu Yifan, Wang Xinlian, Huang Xiaoya, Yao Ning
Materials Science Poland
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2020
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Vol. 38, No. 1
1--7
EN
TiO2 thin films were deposited by the energy filtrating magnetron sputtering (EFMS) technique and the traditional direct current magnetron sputtering (DMS) technique. The influence of the filtering electrode mesh number on the structure and optical properties of TiO2 thin films was investigated. The structure, surface morphology and optical properties were characterized by XRD, SEM and ellipsometric spectroscopy, respectively. Results show that the TiO2 thin films deposited by the DMS and EFMS techniques at the same deposition parameters are composed of the anatase phase exclusively. TiO2 thin films deposited at lower deposition rate by the EFMS technique have lower crystallinity, smaller particle size and smoother surface. With increasing the mesh number, the refractive index, extinction coefficient and optical band gap are larger.
5
Content available remote Vibrational, electrical, dielectric and optical properties of PVA-LiPF6 solid polymer electrolytes
Abarna S., Hirankumar G.
Materials Science Poland
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2019
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Vol. 37, No. 3
331--337
EN
Solid polymer electrolytes based on polyvinyl alcohol (PVA) doped with LiPF6 have been prepared using solution casting technique. Electrical properties of prepared electrolyte films were analyzed using AC impedance spectroscopy. The ionic conductivity was found to increase with increasing salt concentration. The maximum conductivity of 8.94 × 10-3 S∙cm-1 was obtained at ambient temperature for the film containing 20 mol% of LiPF6. The conductivity enhancement was correlated to the enhancement of available charge carriers. The formation of a complex between the polymer and salt was confirmed by Fourier transform infrared spectroscopy (FT-IR). The optical nature of the polymer electrolyte films was analyzed through UV-Visspectroscopy.
6
Content available remote Effect of prefiring temperature on the texture and optical property of Bi4Ti3O12/MgO(100) prepared by using a metal naphthenate precursor
Hwangbo S., Hwang K. S., Kim J. T.
Optica Applicata
|
2008
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Vol. 38, nr 4
635-641
EN
The effect of prefiring temperature on the crystal structure and optical property of the Bi4Ti3O12 films on MgO substrates by using a metal naphthenate precursor was investigated. As-deposited films were prefired at 300 °C, 400 °C and 500 °C for 10 min, followed by annealing at 750 °C for 30 min. According to the pole-figure analysis, texture of the annealed films was found to depend on prefiring temperature. Transmittance and the variation of band gap with prefiring temperature were studied.
7
Content available remote Optical properties of Eu(III) doped nanocrystalline films of TiO2
Hreniak A., Nyk M., Hreniak D., Stręk W., Kępiński L., Misiewicz J., Maruszewski K.
Materials Science Poland
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2004
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Vol. 22, No. 3
227--234
EN
The synthesis of europium (III) doped nanocrystalline TiO2 films is described. The morphology and structure of the films were determined by transmission electron microscopy (TEM) and the selected area of electron diffraction (SAED) method. The photoluminescence (PL), lifetimes and cathodoluminescence (CL), recorded at room temperature, are reported. It has been found that the cathodoluminescence characteristics are significantly different from the photoluminescence ones. It is concluded that different Eu3+ sites contribute to the optical behaviour of Eu3+:TiO2 films.
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