Direct determination of self-consistent total energies and charge densities of solids: A study of the cohesive properties of the alkali halides

1992 ◽  
Vol 46 (4) ◽  
pp. 2008-2014 ◽  
Author(s):  
Pietro Cortona
1995 ◽  
Vol 17 (4) ◽  
pp. 411-424 ◽  
Author(s):  
G. Baldacchini ◽  
S. Boiko ◽  
U. Grassano ◽  
F. De Matteis ◽  
A. Scacco ◽  
...  

1978 ◽  
Vol 56 (11) ◽  
pp. 1494-1501 ◽  
Author(s):  
P. J. Thomas ◽  
S. C. Rand ◽  
B. P. Stoicheff

Five single crystals of parahydrogen were grown near the triple point, and their Brillouin spectra examined in known crystal directions. An analysis of the measured frequency shifts of longitudinal and transverse components led to the direct determination of the adiabatic elastic constants at 13.2 K: C11 = 3.34 ± 0.05, C13 = 0.56 ± 0.03, C33 = 4.08 ± 0.06, C44 = 1.04 ± 0.03 kbar. The fifth elastic constant C12 = 1.30 ± 0.05 kbar was evaluated from the relation C11 + C12 = C13 + C33. Values of the following constants were calculated: elastic anisotropy, A = 1.02 ± 0.06, adiabatic bulk modulus, Bs = 1.73 ± 0.04 kbar, and Debye temperature, θD = 111.2 K. All of these values were compared with earlier experimental measurements. The elastic constants were found to be in good agreement with a recent self-consistent phonon calculation by Goldman.


1961 ◽  
Vol 41 (4) ◽  
pp. 380-384 ◽  
Author(s):  
Arthur F. Dratz ◽  
James C. Coberly
Keyword(s):  

2002 ◽  
Vol 721 ◽  
Author(s):  
Monica Sorescu

AbstractWe propose a two-lattice method for direct determination of the recoilless fraction using a single room-temperature transmission Mössbauer measurement. The method is first demonstrated for the case of iron and metallic glass two-foil system and is next generalized for the case of physical mixtures of two powders. We further apply this method to determine the recoilless fraction of hematite and magnetite particles. Finally, we provide direct measurement of the recoilless fraction in nanohematite and nanomagnetite with an average particle size of 19 nm.


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