Electron and Positron Density Distribution of Bloch Waves

1973 ◽  
Vol 28 (5) ◽  
pp. 661
Author(s):  
G. Lehmpfuhl

The charge density distribution in the strongest Bloch waves for a dynamical many-beam diffraction situation was calculated for electrons and positrons. Near the [110] zone axis of MgO there exist three strong Bloch waves for electrons. One Bloch wave is concentrated at the rows of Mg-atoms, a second at the rows of O-atoms and a third one between the atoms. The positron Bloch waves are mainly concentrated between the atom rows and have only small charge density at the positions of the atoms. For an incident beam parallel to the [110] axis there exists only one strong positron Bloch wave while for electrons more than three Bloch waves are strong, explaining the channeling behaviour of positrons and electrons. Strong partial waves of different electron Bloch waves can be identified in the diffraction pattern from a MgO crystal wedge.

1973 ◽  
Vol 28 (1) ◽  
pp. 1-8
Author(s):  
G. Lehmpfuhl

The charge density distribution in the strongest Bloch waves for a dynamical many-beam diffraction situation was calculated for electrons and positrons. Near the [110] zone axis of MgO there exist three strong Bloch waves for electrons. One Bloch wave is concentrated at the rows of Mg-atoms, a second at the rows of O-atoms and a third one between the atoms. The positron Bloch waves are mainly concentrated between the atom rows and have only small charge density at the positions of the atoms. For an incident beam parallel to the [110] axis there exists only one strong positron Bloch wave while for electrons more than three Bloch waves are strong, explaining the channeling behaviour of positrons and electrons. Strong partial waves of different electron Bloch waves can be identified in the diffraction pattern from a MgO crystal wedge.


A full dynamical theory has been developed for an off-axis diffraction geometry. A new type of resonance elastic scattering is found and discussed. This occurs when the Ewald sphere is almost tangential to one of the minus high order Laue zones, and is termed bulk resonance diffraction. It is shown that under certain diffraction conditions, i. e. bulk resonance diffraction conditions, effectively only a single distinct tightly bound Bloch wave localized around atom strings is excited within the crystal, and selection can be made of the particular bound Bloch waves by appropriately tilting the incident beam or the crystal. A new scheme for imaging individual tightly bound Bloch waves is proposed. Full dynamical calculations have been made for 1T–V Se 2 single crystals. It is demonstrated that chemical lattice images of V and Se atom strings can be obtained along the [0001] zone axis of a 1T–V Se 2 crystal for angles of incidence of 109.54 and 109.90 mrad respectively.


1993 ◽  
Vol 48 (1-2) ◽  
pp. 193-197 ◽  
Author(s):  
Teiji Kobayasi ◽  
Hisashi Nara

Abstract A pseudopotential calculation has been performed for the charge density distribution in Si and Ge, with the core-orthogonalization terms fully included. The state of a positron subject to the Coulomb field of the resultant electron distribution in Si is also calculated. A possible improvement of the calculated distributions of electrons and positrons in momentum space is discussed.


2004 ◽  
Vol 384 (1-3) ◽  
pp. 40-44 ◽  
Author(s):  
Konstatin A Lyssenko ◽  
Mikhail Yu Antipin ◽  
Mikhail E Gurskii ◽  
Yurii N Bubnov ◽  
Anna L Karionova ◽  
...  

2017 ◽  
Vol 35 (11) ◽  
pp. 1102-1114 ◽  
Author(s):  
Morris Marieli Antoinette ◽  
S. Israel ◽  
G. Sathya ◽  
Arlin Jose Amali ◽  
John L. Berchmans ◽  
...  

2015 ◽  
Vol 17 (9) ◽  
pp. 6667-6667
Author(s):  
Jonathan J. Du ◽  
Linda Váradi ◽  
Jinlong Tan ◽  
Yiliang Zhao ◽  
Paul W. Groundwater ◽  
...  

Correction for ‘Experimental and theoretical charge density distribution in Pigment Yellow 101’ by Jonathan J. Du et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c4cp04302b.


2007 ◽  
Vol 51 (92) ◽  
pp. 764 ◽  
Author(s):  
Yoshihiro Terado ◽  
Chikako Moriyoshi ◽  
Yoshihiro Kuroiwa ◽  
Hitoshi Kawaji ◽  
Tooru Atake

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