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Molecular Dynamics Simulation of Strontium Titanate

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Chinese Physics Letters 2010年第2期27卷 217-219页

作者： seetawan tosawat WONG-UD-DEE Gjindara THANACHAYANONT Chanchana AMORNKITBUMRUNG Vittaya Thermoelectrics Research Center and Department of Physics Faculty of Science and Technology Sakon Nakhon Rajabhat University 680 Nithayo Rd. Sakon Nakhon 47000 Thailand National Metal and Materials Technology Center 114 Thailand Science Park Paholyothin Rd. Klong 1 Klong Luang Pathumthani 12120 Thailand Integrated Nanotechnology Research Center and Department of Physics Faculty of Science Khon Kaen University 123 Mitrapab Rd. Khon Kaen 40002 Thailand

The molecular dynamics method is used to simulate the thermophysical properties of SrTiO3 thermoelectric material in the temperature range 300-2200 K. The Morse-type potential functions added to the Busing-Ida type potential for interatomic interaction are used in the simulation. The interatomic potential parameters are determined by fitting to the experimental data of lattice parameters with temperature and the data reported in literature. The linear thermal expansion coefficient, heat capacity and lattice contributions to the thermal conductivity are analyzed. The results agree with the data reported in the literature.

关键词： Condensed matter: electrical magnetic and optical Semiconductors Condensed matter: structural mechanical & thermal

Preparation of Thin Films by a Bipolar Pulsed-DC Magnetron Sputtering System Using Ca3Co4O9and CaMnO3Targets

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Materials Sciences and Applications 2012年第9期3卷 645-649页

作者： Weerasak Somkhunthot Nuwat Pimpabute tosawat seetawan Program of Physics and Science Center Faculty of Science and Technology Loei Rajabhat University Loei Thailand Thermoelectrics Research Center Faculty of Science and Technology Sakon Nakhon Rajabhat University Sakon Nakhon Thailand

The thin films were deposited on the glass substrates by an asymmetric bipolar pulsed-dc magnetron sputtering system using the Ca3Co4O9 and CaMnO3 Targets (n-type) targets of 60 mm diameter and 2.5 mm thickness. The targets were prepared from powder precursors, which obtained by a solid state reaction. Optical emissions from plasmas during sputter depositions of films were detected using a high resolution spectrometer. Thickness of thin film was estimated by Tolansky’s Fizeau fringe method and ellipsometic measurement. Crystal structures were studied from X-ray diffraction. The thermoelectric properties were assessed from Seebeck coefficient and electrical resistivity measurements at room temperature. The power factors were calculated. It was found that the optical emission spectrums showed that the Ca, Mn, Co and O atoms were sputtered from the targets onto glass substrates. As-deposited Ca-Co-O and Ca-Mn-O films thickness values were 0.435 ?m and 0.449 ?m, respectively. The X-ray diffraction patterns clearly showed amorphous nature of the as-deposited films. Determining thermoelectric properties of Ca-Co-O film gave Seebeck coefficient of 0.146 mV/K, electrical resistivity of 0.473Ω.cm, and power factor of 4.531 μW/m?K at room temperature. Ca-Mn-O film baring a high resistance was not the experimental determination of thermoelectric properties.

关键词： Thermoelectric Thin Film Ca3Co4O9 CaMnO3 Bipolar Pulsed-DC Magnetron Sputtering System

Simulation on Thermal Conductivity of MgO and PbTe by Molecular Dynamics Method

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材料科学与工程（中英文B版） 2011年第3期1卷 365-371页

作者： Hassakorn Wattanasarn tosawat seetawan Nuansiri Chansrinuang Chanchana Thanachayanont Prasam Chainaronk Thermoelectrics Research Center and Program of Physics Faculty of Science and Technology Sakon Nakhon Rajabhat University 680 Nittayo Rd. Sakon Nakhon 47000 Thailand National Metal and Materials Technology Center National Science and Technology Development Agency 114 Thailand Science Park Phahonyothin Rd. Klong 1 Klong Luang Pathumthani 12120 Thailand Program of Physics Faculty of Science Ubonratchathani Rajabhat University 2 Ratchathani Rd. Ubon Ratchathani 34000 Thailand

Effect of Calcinations Temperature on Crystallography and Nanoparticles in ZnO Disk

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Materials Sciences and Applications 2011年第9期2卷 1302-1306页

作者： Urai seetawan Suwit Jugsujinda tosawat seetawan Ackradate Ratchasin Chanipat Euvananont Chabaipon Junin Chanchana Thanachayanont Prasarn Chainaronk 不详

We proposed a good calcinations condition of the ZnO disk to control the crystallography and nanoparticles in ZnO disk. The crystallography of precursor powder and disk powder were analyzed by the X-ray diffraction (XRD). The mean nanoparticles of ZnO disk was determinate by XRD results and observed by scanning electron microscope. The temperature ranges of 400℃ to 650℃ in air for 30 minutes were used calcinations ZnO disk. These temperature can be controlled the single phase, lattice parameters, unit cell volume, crystalline size, d-value, texture coefficient and bond lengths of Zn–Zn, Zn–O and O–O which correspond significantly the hexagonal crystal structure. The nanoparticles were small changed mean of 76.59 nm at the calcinations temperature range.

关键词： Nanoparticles in ZnO Disk Calcinations Temperature Crystallography of ZnO