In this chapter, we will restrict our attention to the ferrites and a few other closely related materials. The great interest in ferrites stems from their unique combination of a spontaneous magnetization and a high electrical resistivity. The observed magnetization results from the difference in the magnetizations of two non-equivalent sub-lattices of the magnetic ions in the crystal structure. Materials of this type should strictly be designated as “ferrimagnetic” and in some respects are more closely related to anti-ferromagnetic substances than they are to ferromagnetics in which the magnetization results from the parallel alignment of all the magnetic moments present. We shall not adhere to this special nomenclature except to emphasize effects, which are due to the existence of the sub-lattices.

Ferromagnetic materials

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Synthetic pathways to water-soluble phthalocyanines and close analogs

Extensive calculations based on density functional theory have been carried out to understand the origin of magnetism in undoped ZnO thin films as found in recent experiments. The observed magnetism is confirmed to be due to Zn, instead of O, vacancy. The main source of the magnetic moment, however, arises from the unpaired 2p electrons at O sites surrounding the Zn vacancy with each nearest-neighbor O atom carrying a magnetic moment ranging from 0.490 to 0.740 B. Moreover, the study of vacancy-vacancy interactions indicates that in the ground state, the magnetic moments induced by Zn vacancies prefer to ferromagnetically couple with the antiferromagnetic state lying 44 meV higher in energy. Since this is larger than the thermal energy at room temperature, the ferromagnetic state can be stable against thermal fluctuations. Calculations and discussions are also extended to ZnO nanowires that have larger surface to volume ratio. Here, the Zn vacancies are found to lead to the ferromagnetic state too. The present theoretical study not only demonstrates that ZnO samples can be magnetic even without transition-metal doping but also suggests that introducing Zn vacancy is a natural and an effective way to fabricate magnetic ZnO nanostructures. In addition, vacancy mediated magnetic ZnO nanostructures may have certain advantages over transition-metal doped systems in biomedical applications.

https://absimage.aps.org/image/MAR08/MWS_MAR08-2007-004197.pdf

Zinc Vacancy induced magnetism in ZnO thin films and nanowires

https://www.ucv.ro/pdf/invatamant/educatie/scoala_doctorala/mmureseanu/3.pdf

Modified SBA-15 mesoporous silica for heavy metal ions remediation.

Thermoelectric materials are being important due to their application in both thermoelectric power generation and microelectronic cooling. The thermoelectric power generations convert the heat change to electricity. The waste of heat could be useful if the thermoelectric power generation is applied. Effective thermoelectric materials have a low thermal conductivity and a high electrical conductivity. A high thermal conductivity causes too much heat leakage through heat conduction. The performance of the thermoelectric materials and devices is shown by a dimensionless figure of merit, ZT = S2σT/K, where S is the Seebeck coefficient, σ is the electrical conductivity, T is the absolute temperature and K is the thermal conductivity. ZT can be increased by increasing S, increasing σ, or decreasing K. In this study, we prepared thermoelectric generator devices of SiGe at the thickness of 112 nm using the ion beam assisted deposition (IBAD) system. Rutherford Backscattering Spectrometry (RBS) analysis was used for the elemental analysis. The 5 MeV Si ion bombardment was performed using the AAMU Pelletron ion beam accelerator to make quantum clusters in the film to decrease the cross plane thermal conductivity, increase the cross plane Seebeck coefficient and electrical conductivity. To characterize the thermoelectric generator devices before and after Si ion bombardment we measured the cross plane Seebeck coefficient, electrical conductivity by Van der Pauw method, and thermal conductivity by 3w method for different fluences.

Fabrication And Characterization of Thermoelectric Generators From SiGe Thin Films

Thermoelectric power generation is a promising technology for increasing the efficiency of electrical and optical electrical devices. We prepared samples by Electron Beam evaporating Zn4Sb3 and CeFe2Co2Sb12 thin films on silicon dioxide (silica) substrates. The materials were co-evaporated and then were prepared for gold over-coating. Following electron deposition we performed post ion bombardment at a constant energy of 5 MeV while varying fluence from 1×1012, 1×1013, 1×1014, 1×1015 ions/cm2, respectfully. The production of nano-clusters generated from the MeV Si ions bombardment modifies the electrical and phonon interactions in the materials. Also, we will report on the fluence dependence of the figure of merit, Seebeck Coefficient, thermal conductivity and electrical conductivity. In addition, Rutherford backscattering spectrometry (RBS) was used to analyze the elemental composition and the thickness of the deposited material.

Fluence Dependence of Thermoelectric Properties Induced By Ion Bombardment of Zn4Sb3 and CeFe2Co2Sb12 thin films

Semiconducting â-Zn 4 Sb 3 and ZrNiSn-based half-heusler compound thin films were prepared by co-evaporation for the application of thermoelectric (TE) materials. High-purity solid zinc and antimony were evaporated by electron beam to grow the â-Zn 4 Sb 3 thin film while high-purity zirconium powder and nickel tin powders were evaporated by electron beam to grow the ZrNiSn-based half-heusler compound thin film. Rutherford backscattering spectrometry (RBS) was used to analyze the composition of the thin films. The grown thin films were subjected to 5 MeV Si ions bombardments for generation of nanostructures in the films. We measured the thermal conductivity, Seebeck coefficient, and electrical conductivity of these two systems before and after 5 MeV Si ions beam bombardments. The two material systems have been identified as promising TE materials for the application of thermal-to-electrical energy conversion, but the efficiency still limits their applications. The electronic energy deposited due to ionization in the track of MeV ion beam can cause localized crystallization. The nanostructures produced by MeV ion beam can cause significant change in both the electrical and the thermal conductivity of thin films, thereby improving the efficiency. We used the 3u-method measurement system to measure the cross-plane thermal conductivity ,the Van der Pauw measurement system to measure the cross-plane electrical conductivity, and the Seebeck-coefficient measurement system to measure the cross-plane Seebeck coefficient. The thermoelectric figures of merit of the two material systems were then derived by calculations using the measurement results. The MeV ion-beam bombardment was found to decrease the thermal conductivity of thin films and increase the efficiency of thermal-to-electrical energy conversion.

https://www.cambridge.org/core/services/aop-cambridge-core/content/view/S194642740003935X

MeV Ion-Beam Bombardment Effects on The Thermoelectric Figures of Merit of Zn4Sb3 and ZrNiSn-Based half-heusler compounds

Monolayer thin films of YbBiPt and YBiPt have been produced with 560 nm and 394 nm thick respectively in house and their thermoelectric properties were measured before and after MeV ion bombardment. The energy of the ions were selected such that the bombarding Si ions stop in the silicon substrate and deposit only electronic energy by ionization in the deposited thin film. The bombardment by 5.0 MeV Si ions at various fluences changed the homogeneity as well as reducing the internal stress in the films thus affecting the thermal, electrical and Seebeck coefficient of thin films. The stoichiometry of the thin films was determined using Rutherford Backscattering Spectrometry, the thickness has been measured using interferometry and the electrical conductivity was measured using Van der Pauw method. Thermal conductivity of the thin films was measured using an in-house built 3ω thermal conductivity measurement system. Using the measured Seebeck coefficient, thermal conductivity and electrical conductivity we calculated the figure of merit (ZT). We will report our findings of change in the measured figure of merit as a function of bombardment fluence.

Thermoelectric Properties of YbBiPt and YBiPt Thin Films

We have grown 100 periodic SiO2/SiO2+Ag multi-nano-layered systems where the SiO2+Ag layers were 7.26 nm and SiO2 buffer layer were 4 nm, total thickness is 563 nm. Using interferometer as well as in-situ thickness monitoring, we measured the thickness of the layers; using Rutherford Backscattering Spectrometry (RBS) measured the concentration and distribution of Ag in SiO2. The electrical conductivity, thermal conductivity and the Seebeck coefficient of the layered structure were measured at room temperature before and after bombardment by 5 MeV Si ions. The energy of the Si ions were chosen such that the ions are stopped in the silicon substrate and only electronic energy due to ionization is deposited in the layered structure. The electrical conductivity measured using Van der Pauw method. Thermal conductivity of the thin films was measured using an in-house built 3ω thermal conductivity measurement system. Using the measured Seebeck coefficient, thermal conductivity and electrical conductivity we calculated the figure of merit (ZT). We will report our findings of change in the figure of merit as a function of the bombardment fluence.

Sadik Güner

Papers

Fabrication And Characterization of Thermoelectric Generators From SiGe Thin Films

Fluence Dependence of Thermoelectric Properties Induced By Ion Bombardment of Zn4Sb3 and CeFe2Co2Sb12 thin films

MeV Ion-Beam Bombardment Effects on The Thermoelectric Figures of Merit of Zn4Sb3 and ZrNiSn-Based half-heusler compounds

Thermoelectric Properties of YbBiPt and YBiPt Thin Films

MeV Si ions Bombardment Effects on the Properties of Nano-layers of SiO2/SiO2+Ag