Brillouin zone of a base-centered monoclinic lattice

1974 ◽  
Vol 17 (7) ◽  
pp. 934-938 ◽  
Author(s):  
M. P. Ruzaikin ◽  
N. V. Kudryavtseva
Keyword(s):  
Brillouin Zone ◽  
Monoclinic Lattice

A New Condition of Formation and Stablity of All Crystalline Systems in a Good Agreement with Experimental Data

2015 ◽  
Vol 11 (3) ◽  
pp. 3224-3228
Author(s):  
Tarek El-Ashram
Keyword(s):  
Experimental Data ◽  
Brillouin Zone ◽  
Electron Concentration ◽  
Free Electron ◽  
Lattice Point ◽  
Valence Electron ◽  
Fermi Gas ◽  
Valence Electron Concentration ◽  
Fermi Sphere ◽  
Good Agreement

In this paper we derived a new condition of formation and stability of all crystalline systems and we checked its validity andit is found to be in a good agreement with experimental data. This condition is derived directly from the quantum conditionson the free electron Fermi gas inside the crystal. The new condition relates both the volume of Fermi sphere VF andvolume of Brillouin zone VB by the valence electron concentration VEC as ;𝑽𝑭𝑽𝑩= 𝒏𝑽𝑬𝑪𝟐for all crystalline systems (wheren is the number of atoms per lattice point).

Crystal structure of donepezil hydrochloride form III, C24H29NO3⋅HCl

2021 ◽  
pp. 1-8
Author(s):  
Joel W. Reid ◽  
James A. Kaduk
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Powder Diffraction ◽  
Density Functional ◽  
Chloride Anion ◽  
Powder Diffraction Data ◽  
Powder Diffraction File ◽  
Functional Theory ◽  
Monoclinic Lattice ◽  
Donepezil Hydrochloride

The crystal structure of donepezil hydrochloride, form III, has been solved with FOX using laboratory powder diffraction data previously submitted to and published in the Powder Diffraction File. Rietveld refinement with GSAS yielded monoclinic lattice parameters of a = 14.3662(9) Å, b = 11.8384(6) Å, c = 13.5572(7) Å, and β = 107.7560(26)° (C24H30ClNO3, Z = 4, space group P21/c). The Rietveld-refined structure was compared to a density functional theory (DFT)-optimized structure, and the structures exhibit excellent agreement. Layers of donepezil molecules parallel to the (101) planes are maintained by columns of chloride anions along the b-axis, where each chloride anion hydrogen bonds to three donepezil molecules each.

Interpolation of functions in the Brillouin zone and special-point method

1983 ◽  
Vol 26 (5) ◽  
pp. 488-491
Author(s):  
M. L. Zolotarev ◽  
A. S. Poplavnoi
Keyword(s):  
Brillouin Zone ◽  
Point Method ◽  
Special Point ◽  
Interpolation Of Functions

Brillouin-zone averaging in angle-resolved x-ray photoemission from valence levels of single-crystal gold and aluminum

1978 ◽  
Vol 25 (11) ◽  
pp. 907-911 ◽  
Author(s):  
Z. Hussain ◽  
N.F.T. Hall ◽  
L.F. Wagner ◽  
S.P. Kowalczyk ◽  
C.S. Fadley ◽  
...  
Keyword(s):  
Single Crystal ◽  
Brillouin Zone ◽  
X Ray
Sign in / Sign up

Export Citation Format

Share Document