Electron Momentum Density In Europium Using A 137Cs Compton Spectrometer

2005 ◽  
Vol 60 (7) ◽  
pp. 512-516
Author(s):  
Babu Lal Ahuja ◽  
Harsh Malhotra ◽  
Sonal Mathur

The isotropic Compton profile of europium, the most reactive lanthanide, has been measured at a resolution of 0.40 a.u. using 661.65 keV gamma-rays. In the absence of a band structure-based Compton profile, the experimental data are compared with renormalised-free-atom (RFA) and free electron models. It is seen that the RFA model with e−-e− correlation agrees better with the experiment than the free electron models. The first derivatives of the Compton profiles show the hybridization effects of s-, p-, d-, f-electrons. From our RFA data we have also computed the cohesive energy of europium. PACS: 13.60.F, 71.15.Nc, 78.70. -g, 78.70.Ck

2004 ◽  
Vol 59 (12) ◽  
pp. 927-932 ◽  
Author(s):  
B. L. Ahuja ◽  
H. Malhotra ◽  
M. Sharma

We present the experimental Compton profile of polycrystalline terbium, using 661.65 keV gamma-rays, emitted by 20 Ci137Cs. In the absence of band structure calculations, theoretical computations have been made using renormalised-free-atom (RFA) and free electron based profiles. It is seen that the RFA results with e−-e− correlation correction agree relatively better with the experiment. The data are interpreted in terms of spd-f hybridization in the valence state of terbium. From the RFA profile, we have also derived the cohesive energy of terbium, which is compared with other band structures and experimental investigations. - PACs Nos. 13.60.F, 71.15.Nc, 78.70. -g, 78.70.Ck


2006 ◽  
Vol 61 (5-6) ◽  
pp. 299-305
Author(s):  
Shabha Khera ◽  
Narayan Lal Heda ◽  
Sonal Mathur ◽  
Babu Lal Ahuja

In this paper we present the first ever measured Compton profiles of polycrystalline gadolinium and dysprosium using 661.65 keV gamma-rays. The Compton data are compared with renormalized-freeatom (RFA) and free-electron model profiles. In both cases the RFA model (with e− - e− correlation) gives a better agreement with the experiment. The hybridization effects of s-, p-, d-, and f-electrons are discussed, using the first derivatives of the Compton profiles. We also report the cohesive energy of both samples, computed from the RFA calculations. - PACS numbers: 13.60.F, 71.15.Nc, 78.70. -g, 78.70.Ck


2021 ◽  
pp. 2150018
Author(s):  
Sameen F. Mohammed ◽  
Abdulhadi Mirdan Ghaleb ◽  
Esam S. Ali

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.


2013 ◽  
Vol 82 (7) ◽  
pp. 074702 ◽  
Author(s):  
Marek Brancewicz ◽  
Maciej Pylak ◽  
Andrzej Andrejczuk ◽  
Eugeniusz Żukowski ◽  
Ludwik Dobrzyński ◽  
...  

2001 ◽  
Vol 62 (12) ◽  
pp. 2191-2197 ◽  
Author(s):  
A. Bansil ◽  
B. Barbiellini ◽  
S. Kaprzyk ◽  
P.E. Mijnarends

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
N. Munjal ◽  
M. C. Mishra ◽  
G. Sharma ◽  
B. K. Sharma

The electron momentum density distribution and phase transition in ZnS are reported in this paper. The calculations are performed on the basis of density functional theory (DFT) based on the linear combination of atomic orbitals (LCAO) method. To compare the theoretical Compton profile, the measurement on polycrystalline ZnS has been made using a Compton spectrometer employing 59.54 keV gamma rays. The spherically averaged theoretical Compton profile is in agreement with the measurement. On the basis of equal valence-electron-density Compton profiles, it is found that ZnS is less covalent as compared to ZnSe. The present study suggests zincblende (ZB) to rocksalt (RS) phase transition at 13.7 GPa. The calculated transition pressure is found in good agreement with the previous investigations.


2013 ◽  
Vol 117 (4) ◽  
pp. 747-753 ◽  
Author(s):  
G. Sharma ◽  
N. Munjal ◽  
V. Vyas ◽  
R. Kumar ◽  
B. K. Sharma ◽  
...  

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