Use of a hand-held computer to calculate Debye temperatures of cubic crystals from elastic constants

1988 ◽  
Vol 2 (5) ◽  
pp. 81
Author(s):  
W. G. Delinger
Keyword(s):  
Elastic Constants ◽  
Cubic Crystals ◽  
Debye Temperatures

The dislocations contrast factors of cubic crystals in the Zener constant range between zero and unity

2002 ◽  
Vol 17 (2) ◽  
pp. 104-111 ◽  
Author(s):  
I. C. Dragomir ◽  
T. Ungár
Keyword(s):  
Elastic Constants ◽  
Elastic Anisotropy ◽  
Profile Analysis ◽  
Anisotropy Constant ◽  
Diffraction Peak ◽  
Polycrystalline Materials ◽  
Ionic Crystals ◽  
Strain Anisotropy ◽  
Cubic Crystals ◽  
Lattice Distortions

Diffraction peak profiles broaden due to the smallness of crystallites and the presence of lattice defects. Strain broadening of powders of polycrystalline materials is often anisotropic in terms of the hkl indices. This kind of strain anisotropy has been shown to be well interpreted assuming dislocations as one of the major sources of lattice distortions. The knowledge of the dislocation contrast factors are inevitable for this interoperation. In a previous work the theoretical contrast factors were evaluated for cubic crystals for elastic constants in the Zener constant range 0.5≤Az≤8. A large number of ionic crystals and many refractory metals have elastic anisotropy, Az, well below 0.5. In the present work the contrast factors for this lower anisotropy-constant range are investigated. The calculations and the corresponding peak profile analysis are tested on ball milled PbS and Nb and nanocrystalline CeO2.

The physical properties of ThCr2Si2-type superconductors MPd2P2 (M = Y, La): A theoretical investigation

2018 ◽  
Vol 32 (28) ◽  
pp. 1850312
Author(s):  
Md. Lokman Ali ◽  
Md. Tosaddek Hossen ◽  
Shahin Alam ◽  
Md. Sadek Hossain ◽  
Jakiul Islam ◽  
...  
Keyword(s):  
Experimental Data ◽  
Elastic Constants ◽  
Structural Data ◽  
Computer Code ◽  
Generalized Gradient ◽  
Generalized Gradient Approximation ◽  
Anisotropic Factor ◽  
Optical Functions ◽  
Debye Temperatures ◽  
Ductile Behavior

The structural stability, elastic, mechanical, optical characteristics and Debye temperature of single crystalline superconductors MPd2P2 (M = Y, La) were investigated by using the ab initio technique. We have carried out the plane wave pseudopotential within the generalized gradient approximation (GGA) implemented in the CASTEP computer code. Our investigated results of structural data are in well consistent with the previous experimental data. The bulk modulus B, shear modulus G, Young’s modulus E, Poisson’s ratio v, hardness H, and anisotropic factor A of MPd2P2 (M = Y, La) compounds were evaluated from the calculated elastic constants. The analysis of ratio B/G shows that the MPd2P2 superconductors are in ductile behavior. The Debye temperatures are also investigated from the elastic constants. Finally, the optical functions including reflectivity, absorption coefficient, loss function, conductivity, refractive index, dielectric function are calculated and analyzed.

Elastic constants of cubic crystals

2014 ◽  
Vol 95 ◽  
pp. 592-599 ◽  
Author(s):  
M. Jamal ◽  
S. Jalali Asadabadi ◽  
Iftikhar Ahmad ◽  
H.A. Rahnamaye Aliabad
Keyword(s):  
Elastic Constants ◽  
Cubic Crystals

CHARACTERISTIC TEMPERATURES OF CUBIC METALS

1957 ◽  
Vol 35 (5) ◽  
pp. 507-511 ◽  
Author(s):  
E. E. Budzinski ◽  
H. Schiff
Keyword(s):  
Cubic Crystals ◽  
Cubic Metals ◽  
Characteristic Temperatures ◽  
Debye Temperatures

An approximation is developed for the determination of the characteristic Debye temperatures of cubic crystals. This method yields results more accurate than those obtained by Bhatia and Tauber using Houston's three-term formula and slightly more accurate than those obtained with the more recent six-term formula of Betts, Bhatia, and Wyman, and also provides a means of estimating the accuracy of these formulae.

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