Search results for "Debye model"
showing 6 items of 16 documents
Multi-temperature synchrotron PXRD and physical properties study of half-Heusler TiCoSb.
2010
Phase pure samples of the half-Heusler material TiCoSb were synthesised and investigated. Multi-temperature synchrotron powder X-ray diffraction (PXRD) data measured between 90 and 1000 K in atmospheric air confirm the phase purity, but they also reveal a decomposition reaction starting at around 750 K. This affects the high temperature properties since TiCoSb is semiconducting, whereas CoSb is metallic. Between 90 K and 300 K the linear thermal expansion coefficient is estimated to be 10.5 × 10(-6) K(-1), while it is 8.49 10(-6) K(-1) between 550 K and 1000 K. A fit of a Debye model to the Atomic Displacement Parameters obtained from Rietveld refinement of the PXRD data gives a Debye tempe…
First-principles study of elastic and thermal properties of scheelite-type molybdates and tungstates
2020
Abstract First-principles calculations are carried out to study the physical properties of scheelite-type AMoO4 molybdates and AWO4 tungstates (A = Ca, Sr, Ba, and Pb). We consider two flavors for the exchange-correlation functional, the local-density approximation (LDA) and the generalized gradient approximation (GGA). The second-order elastic constants were determined, and we found that c11 is larger than c33 for the eight investigated compounds. This fact is consistent with the well-known anisotropic compressibility of scheelite-type molybdates and tungstates. The calculated elastic constants are used to determine macroscopic properties which are relevant for applications, such as the bu…
Prediction of structural and thermodynamic properties of zinc-blende AlN: molecular dynamics simulation
2004
Abstract Structural and elastic properties of AlN are investigated by using a molecular dynamics simulation based on the Tersoff empirical interatomic potential. Both of zinc-blende and rock-salt structures are discussed. The calculated bulk properties and elastic constants agree well with the available experimental and theoretical data. The Thermodynamic properties in zinc-blende structure are also predicted including the Debye temperature, melting temperature, heat capacity, linear thermal coefficient. This study is helpful to understand the bahviour of physical properties of AlN when the temperature varies.
Complexes of organometallic compounds. XLVIII. Mössbauer and other studies on pyrazine derivatives of tin(IV) compounds. A relationship between isome…
1978
Abstract Adducts RSnCl 3 ·pyz (R = Me, Bu n , Oct n , Ph; pyz = pyrazine) have been synthesized and characterized in the solid state. It has been determined that RSnCl 3 ·pyz are polymeric compounds, where the ligand acts as bridging bis-monodentate and the tin atoms attain the coordination number six. This has been duduced from: i) temperature dependent Mossbauer spectroscopy; ii) the correlation between Mossbauer isomer shift, δ, and electrical charge on tin, Q Sn , concerning pyrazine adducts of RSnCl 3 and others; iii) an infrared study of the coordinated ligand in RSnCl 3 ·pyz. Other implications of the Mossbauer T dependent study ( e.g. , the decrease of the Debye temperature in RSnCl…
β-Relaxation and low-temperature specific heat in (KBr)1?x(KCN)x
1990
The specific heat in (KBr)1−x(KCN)x has been measured for concentrations 0.00≦x≦0.93 and for temperatures 2 K≦T≦50 K. In addition, the dipolar relaxation phenomena were studied using dielectric spectroscopy. The relaxation behaviour was parametrized assuming a Gaussian distribution of energy barriers and the mean activation energies, the distribution widths, and the attempt frequencies have been determined as a function of the CN− concentration. With these parameters the linear and the excess specific heat contributions were calculated and compared to the calorimetric results.
Low temperature heat capacity of phononic crystal membranes
2016
Phononic crystal (PnC) membranes are a promising solution to improve sensitivity of bolometric sensor devices operating at low temperatures. Previous work has concentrated only on tuning thermal conductance, but significant changes to the heat capacity are also expected due to the modification of the phonon modes. Here, we calculate the area-specific heat capacity for thin (37.5 - 300 nm) silicon and silicon nitride PnC membranes with cylindrical hole patterns of varying period, in the temperature range 1 - 350 mK. We compare the results to two- and three-dimensional Debye models, as the 3D Debye model is known to give an accurate estimate for the low-temperature heat capacity of a bulk sam…