Characterization of leached layers on olivine and pyroxenes using high-resolution XPS and density functional calculations

2008 ◽  
Vol 72 (1) ◽  
pp. 69-86 ◽  
Author(s):  
V.P. Zakaznova-Herzog ◽  
H.W. Nesbitt ◽  
G.M. Bancroft ◽  
J.S. Tse
Keyword(s):  
High Resolution ◽  
Density Functional Calculations ◽  
Density Functional

Structures of Furanosides:  Density Functional Calculations and High-Resolution X-ray and Neutron Diffraction Crystal Structures

1999 ◽  
Vol 103 (6) ◽  
pp. 744-753 ◽  
Author(s):  
Artem G. Evdokimov ◽  
A. Joseph Kalb (Gilbo ◽  
Thomas F. Koetzle ◽  
Wim T. Klooster ◽  
Jan M. L. Martin
Keyword(s):  
High Resolution ◽  
Neutron Diffraction ◽  
Crystal Structures ◽  
Density Functional Calculations ◽  
Density Functional ◽  
X Ray

Chlorine in SiC: Experiment and Theory

2012 ◽  
Vol 717-720 ◽  
pp. 229-232
Author(s):  
Giovanni Alfieri ◽  
Tsunenobu Kimoto
Keyword(s):  
Carrier Concentration ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Electrical Characterization ◽  
Microscopic Structure ◽  
Annealing Study ◽  
P Type ◽  
Theoretical Results

An annealing study, in the 100-1400 C temperature range ,was carried out on Cl-implanted n- or p-type 4H-SiC epilayers. The electrical characterization of the epilayers shows the rise of several deep levels and the role of Cl, on both carrier concentration and defects' microscopic structure, is discussed in the light of theoretical results obtained by density functional calculations performed on a 64-atom cubic SiC supercell.

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