The use of ionization energies of core electrons for determination of the geometrical structure in inorganic salts

1985 ◽  
Vol 35 (2) ◽  
pp. 299-305 ◽  
Author(s):  
G.L. Gutsev ◽  
A.I. Boldyrev
ACS Nano ◽  
2017 ◽  
Vol 11 (8) ◽  
pp. 8223-8230 ◽  
Author(s):  
Kunttal Keyshar ◽  
Morgann Berg ◽  
Xiang Zhang ◽  
Robert Vajtai ◽  
Gautam Gupta ◽  
...  

1942 ◽  
Vol 14 (12) ◽  
pp. 947-948 ◽  
Author(s):  
E. P. Rittershausen ◽  
R. J. DeGray
Keyword(s):  

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 473 ◽  
Author(s):  
Alessandro Genoni ◽  
Piero Macchi

In this review article, we report on the recent progresses in the field of quantum crystallography that has witnessed a massive increase of production coupled with a broadening of the scope in the last decade. It is shown that the early thoughts about extracting quantum mechanical information from crystallographic experiments are becoming reality, although a century after prediction. While in the past the focus was mainly on electron density and related quantities, the attention is now shifting toward determination of wavefunction from experiments, which enables an exhaustive determination of the quantum mechanical functions and properties of a system. Nonetheless, methods based on electron density modelling have evolved and are nowadays able to reconstruct tiny polarizations of core electrons, coupling charge and spin models, or determining the quantum behaviour at extreme conditions. Far from being routine, these experimental and computational results should be regarded with special attention by scientists for the wealth of information on a system that they actually contain.


2005 ◽  
Vol 123 (11) ◽  
pp. 114313 ◽  
Author(s):  
Ricardo B. Metz ◽  
Christophe Nicolas ◽  
Musahid Ahmed ◽  
Stephen R. Leone

1974 ◽  
Vol 19 (5) ◽  
pp. 215-225 ◽  
Author(s):  
Louis Gouverneur ◽  
Georges Leroy ◽  
Istvan Zador

2006 ◽  
Vol 527-529 ◽  
pp. 601-604
Author(s):  
Ivan G. Ivanov ◽  
Anne Henry ◽  
Erik Janzén

The procedure of fitting the spectra associated with donor-acceptor pair luminescence arising from nitrogen-aluminum and phosphorus-aluminum pairs in 4H SiC is described in detail. We show that the fitting can be used not only for accurate evaluation of the ionization energies of the different donors and acceptors involved, but also for unambiguous determination of their lattice sites.


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