The charge transfer in AgBr compound in terms of Compton profile and by adopting the ionic model

This work investigates the electronic momentum density (EMD) distribution in nanosize zirconia (ZrO2) using the technique of Compton scattering. The ZrO2 nanoparticles (11.2[Formula: see text]nm) are synthesized of mechanical milling and characterized by SEM, XRD and TEM probes. The Compton profile [Formula: see text] of nanoZrO2 is measured by Compton spectrometer 59.54[Formula: see text]KeV Gamma rays (Americium-241) source. The study finds out that EMD in nanoZrO2 is narrower comparing in case bulk ZrO2. This study adopts the ionic-model-based free atom [Formula: see text] calculation for many configurations (Zr)[Formula: see text](O[Formula: see text])2 ([Formula: see text]) to measure the charge transfer (CT) on the compound formation. According to this study’s findings, CT values in these materials are ranged from 1.5 to 1.0 electrons from Zr to O atom.

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Compton profile and charge transfer of CaCl2

Kirkuk University Journal-Scientific Studies ◽

10.32894/kujss.2015.104998 ◽

2015 ◽

Vol 10 (3) ◽

pp. 182-191

Author(s):

Sameen F. Mohammed

Keyword(s):

Charge Transfer ◽

Compton Profile

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Compton profile and charge transfer study in intermetallic Ti–Al system

Intermetallics ◽

10.1016/j.intermet.2011.03.004 ◽

2011 ◽

Vol 19 (8) ◽

pp. 1107-1114 ◽

Cited By ~ 3

Author(s):

G. Sharma ◽

K.B. Joshi ◽

M.S. Dhaka ◽

M.C. Mishra ◽

R.K. Kothari ◽

...

Keyword(s):

Charge Transfer ◽

Compton Profile ◽

Transfer Study

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Electronic Structure and Momentum Density of BaO and BaS

Advances in Condensed Matter Physics ◽

10.1155/2013/415726 ◽

2013 ◽

Vol 2013 ◽

pp. 1-6 ◽

Cited By ~ 1

Author(s):

R. Kumar ◽

B. K. Sharma ◽

G. Sharma

Keyword(s):

Electronic Structure ◽

Charge Transfer ◽

Momentum Density ◽

Compton Profile ◽

Density Profiles ◽

Compound Formation ◽

Atomic Orbitals ◽

Hartree Fock ◽

Valence Electron Density ◽

Electron Density Profiles

The electronic structure and electron momentum density distribution in BaO and BaS are presented using Compton spectroscopy. The first-ever Compton profile measurements on polycrystalline BaO and BaS were performed using 59.54 keV gamma-rays. To interpret the experimental data, we have computed the theoretical Compton profiles of BaO and BaS using the linear combination of atomic orbitals method. In the present computation, the correlation scheme proposed by Perdew-Burke-Ernzerhof and the exchange scheme of Becke were considered. The hybrid B3PW and Hartree-Fock based profiles were also computed for both compounds. The ionic configurations are performed to estimate the charge transfer on compound formation, and the present study suggests charge transfer from Ba to O and S atoms. On the basis of equal-valence-electron-density profiles, it is found that BaO is more ionic as compared to BaS.

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Study of charge transfer in FeTi

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100075270 ◽

1983 ◽

Vol 41 ◽

pp. 296-297

Author(s):

J. Taft∅

Keyword(s):

Charge Transfer ◽

Charge Distribution ◽

Electron Scattering ◽

Periodic System ◽

Electron Distribution ◽

Scattering Amplitude ◽

Transition Elements ◽

Hartree Fock ◽

Cscl Structure ◽

The Right

It is well known that for reflections corresponding to large interplanar spacings (i.e., sin θ/λ small), the electron scattering amplitude, f, is sensitive to the ionicity and to the charge distribution around the atoms. We have used this in order to obtain information about the charge distribution in FeTi, which is a candidate for storage of hydrogen. Our goal is to study the changes in electron distribution in the presence of hydrogen, and also the ionicity of hydrogen in metals, but so far our study has been limited to pure FeTi. FeTi has the CsCl structure and thus Fe and Ti scatter with a phase difference of π into the 100-ref lections. Because Fe (Z = 26) is higher in the periodic system than Ti (Z = 22), an immediate “guess” would be that Fe has a larger scattering amplitude than Ti. However, relativistic Hartree-Fock calculations show that the opposite is the case for the 100-reflection. An explanation for this may be sought in the stronger localization of the d-electrons of the first row transition elements when moving to the right in the periodic table. The tabulated difference between fTi (100) and ffe (100) is small, however, and based on the values of the scattering amplitude for isolated atoms, the kinematical intensity of the 100-reflection is only 5.10-4 of the intensity of the 200-reflection.

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Direct imaging of charge transfer

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100165860 ◽

1996 ◽

Vol 54 ◽

pp. 680-681

Author(s):

Yimei Zhu ◽

J. Tafto

Keyword(s):

Charge Transfer ◽

Electron Diffraction ◽

Scattering Amplitude ◽

High Temperature Superconductors ◽

Charge Carriers ◽

Image Charge ◽

Net Charge ◽

Long Time ◽

Electron Holes ◽

First Time

The electron holes confined to the CuO2-plane are the charge carriers in high-temperature superconductors, and thus, the distribution of charge plays a key role in determining their superconducting properties. While it has been known for a long time that in principle, electron diffraction at low angles is very sensitive to charge transfer, we, for the first time, show that under a proper TEM imaging condition, it is possible to directly image charge in crystals with a large unit cell. We apply this new way of studying charge distribution to the technologically important Bi2Sr2Ca1Cu2O8+δ superconductors.Charged particles interact with the electrostatic potential, and thus, for small scattering angles, the incident particle sees a nuclei that is screened by the electron cloud. Hence, the scattering amplitude mainly is determined by the net charge of the ion. Comparing with the high Z neutral Bi atom, we note that the scattering amplitude of the hole or an electron is larger at small scattering angles. This is in stark contrast to the displacements which contribute negligibly to the electron diffraction pattern at small angles because of the short g-vectors.

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