Quantitative test of electronic structures of organic ferromagnet systems from first-principles investigations using muon spin rotation data

2002 ◽  
Vol 66 (13) ◽  
Author(s):  
Junho Jeong ◽  
Tina M. Briere ◽  
N. Sahoo ◽  
Seiko Ohira ◽  
K. Nishiyama ◽  
...  
1989 ◽  
Vol 163 ◽  
Author(s):  
Chris G. Van De Walle

AbstractFirst-principles spin-density-functional calculations are used to evaluate hyperfine and superhyperfine parameters for hydrogen and muonium at various sites in the Si lattice. The results can be directly compared with values from muon-spin-rotation experiments, leading to an unambiguous identification of “anomalous muonium” with the bond-center site. The agreement found in this case instills confidence in the general use of spin-density-functional calculations for predicting hyperfine parameters of defects.


BIBECHANA ◽  
2021 ◽  
Vol 18 (2) ◽  
pp. 138-142
Author(s):  
Amba Datt Pant

In muon spin rotation and relaxation (mSR) method, theoretical work using first-principles calculations helps to understand the stopping sites and charge states of muon in the sample materials. To support the mSR measurement on protein and DNA, a systematic first-principles study starting from the constituents of the protein has been performed. In this work, the behavior of muonium (Mu = m+e-, bound state of a muon and an electron which is like a light isotope of H atom with similar chemical properties) in a N-acetylglycine-N-methylamide (AGMA), a part of peptide bond, is presented. It is found that the stopping site of Mu is around O of unsaturated bonds between C and O in the AGMA. Further calculations towards whole protein and DNA will be performed to support mSR studies. BIBECHANA 18 (2) (2021) 138-142


1999 ◽  
Vol 59 (5) ◽  
pp. 3775-3782 ◽  
Author(s):  
Th. Jestädt ◽  
K. H. Chow ◽  
S. J. Blundell ◽  
W. Hayes ◽  
F. L. Pratt ◽  
...  

1991 ◽  
Vol 15 (5) ◽  
pp. 547-552 ◽  
Author(s):  
L. P Le ◽  
G. M Luke ◽  
B. J Sternlieb ◽  
W. D Wu ◽  
Y. J Uemura ◽  
...  

2012 ◽  
Vol 85 (9) ◽  
Author(s):  
Vyacheslav G. Storchak ◽  
Oleg E. Parfenov ◽  
Dmitry G. Eshchenko ◽  
Roger L. Lichti ◽  
Patrick W. Mengyan ◽  
...  

2006 ◽  
Vol 73 (22) ◽  
Author(s):  
J. Sugiyama ◽  
Y. Ikedo ◽  
K. Mukai ◽  
J. H. Brewer ◽  
E. J. Ansaldo ◽  
...  

1989 ◽  
Vol 39 (4) ◽  
pp. 2748-2751 ◽  
Author(s):  
D. W. Cooke ◽  
R. L. Hutson ◽  
R. S. Kwok ◽  
M. Maez ◽  
H. Rempp ◽  
...  

2013 ◽  
Vol 25 (18) ◽  
pp. 186001
Author(s):  
G M Kalvius ◽  
A Krimmel ◽  
R Wäppling ◽  
O Hartmann ◽  
F J Litterst ◽  
...  

1998 ◽  
Vol 10 (33) ◽  
pp. 7445-7451 ◽  
Author(s):  
C M Aegerter ◽  
S H Lloyd ◽  
C Ager ◽  
S L Lee ◽  
S Romer ◽  
...  

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