Anisotropy in the momentum density of tantalum

Ahuja, B.L.; Sharma, Meena; Mathur, S.

doi:10.1016/j.nimb.2005.10.011

Cited by 75 publications

(33 citation statements)

References 22 publications

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“…The experimental Compton profiles of AgX (X = Cl, Br) were measured using a high-energy (662 keV) 740 GBq 137 Cs Compton spectrometer [24]. The energy distribution of the scattered γ-rays at an angle of 160 ± 0.6° was measured by an HPGe detector (Model GL0210P, Canberra).…”

Section: Methodsmentioning

confidence: 99%

Band‐structure calculations and electron momentum densities of AgCl and AgBr

Rathor

Arora²,

Ahuja

2008

Physica Status Solidi (b)

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We report the band‐structure calculations and the first ever electron momentum densities of AgCl and AgBr. Isotropic Compton profiles of these compounds are measured at an intermediate resolution using a 20 Ci 137Cs Compton spectrometer. We have computed Compton profiles, energy bands, density of states and charge density using Hartree–Fock and density‐functional theories. It is seen that the Hartree–Fock theory‐based Compton line shapes are in a better agreement with the measurements. In addition, we have also derived the energy bands and density of states using the full‐potential linearized augmented plane‐wave method. The Compton data is also analyzed at the equal‐valence‐electron‐density scale. The present data shows that AgBr is more covalent than AgCl, which is in agreement with the present Mulliken's population analysis, valence charge densities and other available ionicity trends. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Section: Methodsmentioning

confidence: 99%

Band‐structure calculations and electron momentum densities of AgCl and AgBr

Rathor

Arora²,

Ahuja

2008

Physica Status Solidi (b)

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“…The details about the spectrometer can be found in Refs. [22,23]. Total momentum resolution of the spectrometer (∆p z ) was 0.39 a.u.…”

Section: Methodsmentioning

confidence: 99%

Compton profiles and band structure calculations of CdS and CdTe

Heda

Mathur

Ahuja³

et al. 2007

Physica Status Solidi (b)

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In this paper we present the isotropic Compton profiles of zinc-blende CdS and CdTe measured at an intermediate resolution of 0.39 a.u. using our 20 Ci 137Cs Compton spectrometer. The electronic band structure calculations for both the zinc-blende structure compounds and also wurtzite CdS have been undertaken using various schemes of ab-initio linear combination of atomic orbitals calculations implemented in CRYSTAL03 code. The band structure and Mulliken's populations are reported using density functional scheme. In case of wurtzite CdS, our theoretical anisotropies in directional Compton profiles are compared with available experimental data. In case of both the zinc-blende compounds, the isotropic experimental profiles are found to be in better agreement with the present Hartree -Fock calculations. A study of the equal-valence-electron-density experimental profiles of zinc-blende CdS and CdTe shows that the CdS is more ionic than CdTe.

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“…To measure the Compton profile of Nd 2 O 3 , we have used our 20 Ci 137 Cs Compton spectrometer [11]. In the present experiment  -radiations of energy 661.65 keV were made to incident on the sample.…”

Section: Methodsmentioning

confidence: 99%