Melting temperature and debye temperature of ternary chalcopyrite semiconductors

1985 ◽  
Vol 20 (4) ◽  
pp. 491-497 ◽  
Author(s):  
L. K. Samanta ◽  
D. K. Ghosh ◽  
G. C. Bhar
Keyword(s):  
Debye Temperature ◽  
Melting Temperature ◽  
Chalcopyrite Semiconductors

Electronic and elastic properties of AIIB2IIIC4VI defect-chalcopyrite semiconductors

2019 ◽  
Vol 33 (28) ◽  
pp. 1950340 ◽  
Author(s):  
S. Chandra ◽  
Anita Sinha ◽  
V. Kumar
Keyword(s):  
Debye Temperature ◽  
Elastic Properties ◽  
Density Functional ◽  
Elastic Stiffness ◽  
Lattice Constants ◽  
Chalcopyrite Semiconductors ◽  
Principle Density Functional Theory ◽  
Experimental Values ◽  
G Ratio ◽  
First Time

The electronic and elastic properties of [Formula: see text] defect-chalcopyrite semiconductors have been studied using first-principle density functional theory (DFT) calculations. The lattice constants, energy band gap, elastic stiffness constants, bulk modulus, shear modulus, shear anisotropy factor, Young’s modulus, Debye temperature, Poisson’s ratio and B/G ratio have been computed. The values of elastic constants of 14 defect-chalcopyrites and Debye temperature for 18 compounds have been reported for the first time. The obtained results are in reasonable agreement with the experimental values in few cases where experiments are performed and reported values.

scholarly journals Study on the Melting Temperature, the Jumps of Volume, Enthalpy and Entropy at Melting Point, and the Debye Temperature for the BCC Defective and Perfect Interstitial Alloy WSi under Pressure

2021 ◽  
Vol 5 (6) ◽  
pp. 153
Author(s):  
Hoc Nguyen Quang ◽  
Hien Nguyen Duc ◽  
Dung Nguyen Trong ◽  
Van Cao Long ◽  
Ştefan Ţălu
Keyword(s):  
Melting Point ◽  
Debye Temperature ◽  
Melting Temperature ◽  
Absolute Stability ◽  
Crystalline State ◽  
Nearest Neighbor ◽  
Vacancy Concentration ◽  
Melting Curve ◽  
Debye Model ◽  
Enthalpy And Entropy

The objective of this study is to determine the analytic expressions of the Helmholtz free energy, the equilibrium vacancy concentration, the melting temperature, the jumps of volume, enthalpy the mean nearest neighbor distance and entropy at melting point, the Debye temperature for the BCC defective, the limiting temperature of absolute stability for the crystalline state, and for the perfect binary interstitial alloy. The results obtained from the expressions are combined with the statistical moment method, the limiting condition of the absolute stability at the crystalline state, the Clausius–Clapeyron equation, the Debye model and the Gruneisen equation. Our numerical calculations of obtained theoretical results were carried out for alloy WSi under high temperature and pressure. Our calculated melting curve and relation between the melting temperature and the silicon concentration for WSi are in good agreement with other calculations. Our calculations for the jumps of volume, enthalpy and entropy, and the Debye temperature for WSi predict and orient experimental results in the future.

scholarly journals Modelling of size-dependent thermodynamic properties of metallic nanocrystals based on modified Gibbs–Thomson equation

2021 ◽  
Vol 127 (5) ◽  
Author(s):  
Manauwar Ali Ansari
Keyword(s):  
Electrical Conductivity ◽  
Particle Size ◽  
Heat Capacity ◽  
Thermodynamic Properties ◽  
Specific Heat ◽  
Debye Temperature ◽  
Melting Temperature ◽  
Specific Heat Capacity ◽  
Cohesive Energy ◽  
Size Dependent

AbstractIn this paper, a new theoretical two-phase (solid–liquid) type model of melting temperature has developed based on the modified Gibbs–Thomson equation. Further, it is extended to derive other different size-dependent thermodynamic properties such as cohesive energy, Debye temperature, specific heat capacity, the thermal and electrical conductivity of metallic nanoparticles. Quantitative calculation of the effect of size on thermodynamic properties resulted in, varying linearly with the inverse of characteristic length of nanomaterials. The models are applied to Al, Pb, Ag, Sn, Mo, W, Co, Au and Cu nanoparticles of spherical shape. The melting temperature, Debye temperature, thermal and electrical conductivity are found to decrease with the decrease in particle size, whereas the cohesive energy and specific heat capacity are increased with the decrease in particle size. The present model is also compared with previous models and found consistent. The results obtained with this model validated with experimental and simulation results from several sources that show similar trends between the model and experimental results. Graphic abstract

scholarly journals Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

2017 ◽  
Vol 5 (2) ◽  
pp. 79
Author(s):  
Salah Daoud
Keyword(s):  
Dielectric Constant ◽  
Thermal Properties ◽  
Bulk Modulus ◽  
Debye Temperature ◽  
Melting Temperature ◽  
Energy Gap ◽  
Theoretical Data ◽  
Index Of Refraction ◽  
Mechanical And Thermal Properties ◽  
Electronic Polarizability

The object of this work is to study the correction between the optical, mechanical and thermal properties of boron arsenide (BAs) material and its experimental optical energy gap. The index of refraction, the high-frequency dielectric constant, the optical electronegativity, the bulk modulus, the micro-hardness, the plasmon energy, the Debye temperature, the melting temperature and the electronic polarizability of BAs were estimated from its energy gap. The results obtained are analyzed in comparison with available experimental and other theoretical data. My obtained results of the reflective index and the dielectric constant agree well with other theoretical data; whereas the bulk modulus, the microhardness, the Debye temperature, and the melting temperature are slightly lower than the experimental and other theoretical data. The electronic polarizability is slightly different than other theoretical ones from the literature.

Debye temperature and melting point of ternary chalcopyrite semiconductors

2009 ◽  
Vol 149 (25-26) ◽  
pp. 1008-1011 ◽  
Author(s):  
V. Kumar ◽  
A.K. Shrivastava ◽  
Rajib Banerji ◽  
D. Dhirhe
Keyword(s):  
Melting Point ◽  
Debye Temperature ◽  
Chalcopyrite Semiconductors

Some Applications of the U. S. Steel MVEM

1973 ◽  
Vol 31 ◽  
pp. 4-5
Author(s):  
J. S. Lally ◽  
L. E. Thomas ◽  
R. M. Fisher
Keyword(s):  
Electron Diffraction ◽  
Debye Temperature ◽  
Metals And Alloys ◽  
Critical Voltage ◽  
Dynamical Diffraction ◽  
Phase Structures ◽  
Structure Factors ◽  
Local Bonding ◽  
Diffraction Phenomenon ◽  
Multi Phase

A variety of materials containing many different microstructures have been examined with the USS MVEM. Three topics have been selected to illustrate some of the more recent studies of diffraction phenomena and defect, grain and multi-phase structures of metals and minerals.(1) Critical Voltage Effects in Metals and Alloys - This many-beam dynamical diffraction phenomenon, in which some Bragg resonances vanish at certain accelerating voltages, Vc, depends sensitively on the spacing of diffracting planes, Debye temperature θD and structure factors. Vc values can be measured to ± 0.5% in the HVEM ana used to obtain improved extinction distances and θD values appropriate to electron diffraction, as well as to probe local bonding effects and composition variations in alloys.

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