Electronic Structure and Hyperfine Parameters for Hydrogen and Muonium in Silicon

1989 ◽  
Vol 163 ◽  
Author(s):  
Chris G. Van De Walle
Keyword(s):  
Spin Density ◽  
First Principles ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Muon Spin ◽  
Spin Rotation ◽  
Muon Spin Rotation ◽  
Hyperfine Parameters ◽  
Bond Center ◽  
Center Site

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.

scholarly journals Muonium behavior in N-acetylglycine-N-methylamide

BIBECHANA ◽  
2021 ◽  
Vol 18 (2) ◽  
pp. 138-142
Author(s):  
Amba Datt Pant
Keyword(s):  
First Principles ◽  
Muon Spin ◽  
Chemical Properties ◽  
Theoretical Work ◽  
Peptide Bond ◽  
Bound State ◽  
Spin Rotation ◽  
Muon Spin Rotation ◽  
First Principles Calculations ◽  
Similar Chemical

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

scholarly journals Superconductivity of Bi-III phase of elemental bismuth: Insights from muon-spin rotation and density functional theory

2018 ◽  
Vol 98 (14) ◽  
Author(s):  
Rustem Khasanov ◽  
Hubertus Luetkens ◽  
Elvezio Morenzoni ◽  
Gediminas Simutis ◽  
Stephan Schönecker ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Muon Spin ◽  
Spin Rotation ◽  
Muon Spin Rotation ◽  
Functional Theory

Temperature and doping-level dependence of magnetic order inLa2−xSrxNiO4+δstudied by muon spin rotation

1999 ◽  
Vol 59 (5) ◽  
pp. 3775-3782 ◽  
Author(s):  
Th. Jestädt ◽  
K. H. Chow ◽  
S. J. Blundell ◽  
W. Hayes ◽  
F. L. Pratt ◽  
...  
Keyword(s):  
Doping Level ◽  
Magnetic Order ◽  
Muon Spin ◽  
Spin Rotation ◽  
Muon Spin Rotation

Zero-Field Muon Spin Rotation Studies in (TMTSF) 2 PF 6

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

scholarly journals Antiferromagnetism in the spin-gap systemNaV2O5: Muon spin rotation measurements

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

Incommensurate magnetic order inAg2NiO2studied with muon-spin-rotation and relaxation spectroscopy

2006 ◽  
Vol 73 (22) ◽  
Author(s):  
J. Sugiyama ◽  
Y. Ikedo ◽  
K. Mukai ◽  
J. H. Brewer ◽  
E. J. Ansaldo ◽  
...  
Keyword(s):  
Magnetic Order ◽  
Muon Spin ◽  
Spin Rotation ◽  
Muon Spin Rotation
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