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Journal articles on the topic 'Compton profiles'

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Published: 4 June 2021
Last updated: 31 January 2023

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1

Ahmed, G., B. L. Ahuja, N. L. Heda, Vinit Sharma, A. Rathor, B. K. Sharma, M. Itou, Y. Sakurai, and Soma Banik. "A Charge Compton Profile Study of Ni2MnGa: Theory and Experiment." Advanced Materials Research 52 (June 2008): 181–86. http://dx.doi.org/10.4028/www.scientific.net/amr.52.181.

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We present the first ever theoretical and experimental charge Compton profiles of Ni2MnGa Heusler alloy. The measurements have been made using magnetic Compton spectrometer at SPring8, Japan. The Compton profiles and energy bands have been computed using Hartree-Fock, density functional theory with local density and generalized gradient approximations. It is seen that the Hartree-Fock based Compton profile is relatively in better agreement with the experimental profiles. In addition, we also report the energy bands, density of states and valence charge densities using full potential linearized augmented plane-wave method.
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2

Blaas, Claudia, Josef Redinger, and Raimund Podloucky. "Calculation of Compton Profiles Using a Multipole Expansion of the Momentum Density." Zeitschrift für Naturforschung A 48, no. 1-2 (February 1, 1993): 198–202. http://dx.doi.org/10.1515/zna-1993-1-239.

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Abstract A practical method for the calculation of Compton profiles for cubic systems with O and Oh symmetry is presented that is based on a multipole expansion of the electron momentum density (EMD) in terms of cubic harmonics. The central quantities, the expansion coefficients, are deter-mined by a Gaussian-type integration (special directions) over the angular coordinates. From these coefficients the coefficients of an analogous expansion of the Compton profile can be directly calculated, establishing a transparent relationship between the electron momentum density and the Compton profile. This direct relationship offers the possibility of tracing back Compton-profile anisotropics to EMD anisotropics more easily, as demonstrated for MgO and FeAl.
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3

Huotari, S., K. Hämäläinen, S. Manninen, A. Issolah, and M. Marangolo. "Asymmetry of Compton profiles." Journal of Physics and Chemistry of Solids 62, no. 12 (December 2001): 2205–13. http://dx.doi.org/10.1016/s0022-3697(01)00179-2.

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4

Kontrym-Sznajd, G., R. N. West, and Stephen B. Dugdale. "Compton Profiles Data Analysis." Materials Science Forum 255-257 (September 1997): 796–98. http://dx.doi.org/10.4028/www.scientific.net/msf.255-257.796.

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5

Gasser, F., and M. Roeth. "Compton Profiles for Atoms and Molecules: Compton Defects." Zeitschrift für Naturforschung A 48, no. 1-2 (February 1, 1993): 257–60. http://dx.doi.org/10.1515/zna-1993-1-248.

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Abstract A series expansion applied to the Born propagator present in the differential cross-section allows one to obtain successive corrections to the impulse approximation. The first and second corrections explain the essential features of the Compton defects. Results for the second corrective term are presented for 1 s, 2 s, 2 px,y, and 2 pz hydrogenic states. The decrease or increase of the scattered intensity near the maximum of the Compton profile is shown to be strongly related to geometric properties of the concerned orbital
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6

Jain, Arvind Kumar, A. N. Tripathi, and Vedene H. Smith Jr. "Momentum densities, Compton profiles, and B functions for the alkaline earth oxides." Canadian Journal of Chemistry 67, no. 11 (November 1, 1989): 1886–91. http://dx.doi.org/10.1139/v89-292.

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Momentum densities II(p), Compton profiles J(q), and internally folded densities B(r) have been calculated from self-consistent field wavefunctions for the alkaline earth oxides BeO, MgO, CaO, and SrO. The results are analyzed both by means of a partial wave decomposition and by comparison with separated ionic reference moieties. The Compton profile anisotropies for these systems are shown to be quite different than those predicted on the basis of a simple scaling relation from data for the alkali fluorides. Keywords: alkaline earth oxides, Compton profiles, momentum densities, internally folded densities, B functions.
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7

Schmider, Hartmut, and Vedene H. Smith, Jr. "Atomic Orbitals from Compton Profiles." Zeitschrift für Naturforschung A 48, no. 1-2 (February 1, 1993): 221–26. http://dx.doi.org/10.1515/zna-1993-1-242.

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Abstract A recently developed method for the least-squares reconstruction of one-particle reduced density matrices from one-particle expectation values has been applied to isotropic Compton profiles of neon from the literature. The resulting densities in momentum and position space are compared with the ones obtained from ab-initio calculations.
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8

Sakurai, Y., M. Itou, T. Mizoroki, Y. Taguchi, and T. Iwazumi. "Spin-wise decomposed Compton profiles." Acta Crystallographica Section A Foundations of Crystallography 67, a1 (August 22, 2011): C115. http://dx.doi.org/10.1107/s0108767311097182.

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9

Wakoh, Shinya, Maki Tokii, Makoto Matsumoto, and Isao Matsumoto. "Magnetic Compton-Profiles of Fe3Pt." Journal of the Physical Society of Japan 71, no. 5 (May 15, 2002): 1393–400. http://dx.doi.org/10.1143/jpsj.71.1393.

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10

Andrejczuk, A., L. Dobrzyński, J. Kwiatkowska, F. Maniawski, S. Kaprzyk, A. Bansil, E. Żukowski, and M. J. Cooper. "Directional Compton profiles of silver." Physical Review B 48, no. 21 (December 1, 1993): 15552–60. http://dx.doi.org/10.1103/physrevb.48.15552.

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11

Chang, Chu-Nan, Yu-Mei Shu, Chuhn-Chuh Chen, and Huey-Fen Liu. "The Compton profiles of tantalum." Journal of Physics: Condensed Matter 5, no. 30 (July 26, 1993): 5371–76. http://dx.doi.org/10.1088/0953-8984/5/30/016.

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12

Das, G., H. C. Padhi, and O. Aikala. "Directional Compton Profiles of CaF2." physica status solidi (b) 136, no. 2 (August 1, 1986): 623–27. http://dx.doi.org/10.1002/pssb.2221360227.

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13

Mendelsohn, Lawrence B., Frank Biggs, and Joseph B. Mann. "Relativistic hartree-fock compton profiles." International Journal of Quantum Chemistry 7, S7 (June 18, 2009): 395–407. http://dx.doi.org/10.1002/qua.560070747.

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14

Kobayashi, Kohjiro, and Hiroshi Sakurai. "Calculation of Compton Profiles for Rare Gases Using the DV-Xα Method." Key Engineering Materials 497 (December 2011): 13–18. http://dx.doi.org/10.4028/www.scientific.net/kem.497.13.

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Compton profiles related to the electron momentum distribution are calculated using the DV-Xα method for a series of rare gases from He to Rn. To verify the criteria of the DV-Xα-derived Compton profiles, our results are compared with those obtained from the Hartree-Fock method. The trend of Compton profiles obtained from the DV-Xα method is discussed.
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15

Bhamu, K. C., Arvind Sharma, Asvin R. Jani, and B. L. Ahuja. "Compton Profiles and Nature of Bonding in Tantalum Chalcogenides." Solid State Phenomena 209 (November 2013): 143–46. http://dx.doi.org/10.4028/www.scientific.net/ssp.209.143.

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Abstract. We report the Compton profiles of tantalum chalcogenides (TaS2 and TaSSe) using Hartree–Fock and hybridization of Hartree–Fock and density functional theories within linear combination of atomic (Gaussian) orbitals. To interpret the theoretical data on Compton line shapes, we have measured the Compton profiles using our in-house 100 mCi 241Am γ-ray Compton spectrometer. To understand the relative nature of bonding, we have obtained the equal-valence-electron-density (EVED) profiles. The EVED profiles shows that charge in TaSSe is more localized than TaS2 in the bonding direction which confirms that TaSSe is more covalent than TaS2, which is in agreement with the Mulliken’s population analysis.
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16

Kumar, R., B. K. Sharma, and G. Sharma. "Electronic Structure and Momentum Density of BaO and BaS." Advances in Condensed Matter Physics 2013 (2013): 1–6. http://dx.doi.org/10.1155/2013/415726.

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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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17

Ahuja, B. L., Anil Gupta, and B. K. Department of Physics, M. Regional. "Compton Profile of Boron Nitride." Zeitschrift für Naturforschung A 48, no. 1-2 (February 1, 1993): 310–14. http://dx.doi.org/10.1515/zna-1993-1-258.

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Abstract The Compton profile of hexagonal boron nitride has been measured using 59.54 keV gamma rays and a planar Ge detector. The results are compared with theoretical Compton profiles calculated for various ionic arrangements and with those available from a bond orbital model, LCAO and SC canonical HF calculations. The LCAO calculation is in relatively good agreement with the present measurement.
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18

Ahuja, B. L., Vinit Sharma, and Y. Sakurai. "Magnetic Compton Scattering Study of Shape Memory Alloys." Advanced Materials Research 52 (June 2008): 145–54. http://dx.doi.org/10.4028/www.scientific.net/amr.52.145.

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The Compton profile, projection of electron momentum density distribution along the scattering vector, is very sensitive to the behavior of valence electrons in a variety of materials. In this paper theoretical aspects related to measurement of spin momentum densities of magnetic materials using Compton scattering is reviewed. To highlight the potential of the magnetic Compton scattering, the spin momentum densities in Ni-Mn-Ga Heusler alloys at various temperatures and magnetic fields are presented. The magnetic Compton profiles are mainly analyzed in terms of the contribution from the 3d electrons of Mn. A comparison of the magnetic Compton data with other magnetization studies illustrates its importance in exploring the magnetic effects in ferro- or ferri-magnetic materials.
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19

Kobayashi, Kohjiro, and Hiroshi Sakurai. "Calculation of Compton Profiles Using the DV-Xα Method for 14 Electron Diatomic Molecules." Key Engineering Materials 497 (December 2011): 19–25. http://dx.doi.org/10.4028/www.scientific.net/kem.497.19.

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Isotropic and directional Compton profiles are calculated for 14 electron diatomic molecules, N2, CO, and BF, using the DV-Xα method. In order to investigate the effect of chemical bonding for Compton profiles, parallel and perpendicular directional Compton profiles to the molecules are calculated and compared with the results from Hartree-Fock and configuration interaction methods. The DV-Xα method could describe the more detailed character of covalent bonding than that of ionic bonding.
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20

Munjal, N., M. C. Mishra, G. Sharma, and B. K. Sharma. "Electron Momentum Density and Phase Transition in ZnS." Journal of Theoretical Chemistry 2013 (June 20, 2013): 1–7. http://dx.doi.org/10.1155/2013/349870.

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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.
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21

Ahuja, Babu Lal, Ashish Rathor, Vinit Sharma, Yamini Sharma, Ashvin Ramniklal Jani, and Balkrishna Sharma. "Electronic Structure and Compton Profiles of Tungsten." Zeitschrift für Naturforschung A 63, no. 10-11 (November 1, 2008): 703–11. http://dx.doi.org/10.1515/zna-2008-10-1114.

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The energy bands, density of states and Compton profiles of tungsten have been computed using band structure methods, namely the spin-polarized relativistic Korringa-Kohn-Rostoker (SPR-KKR) approach as well as the linear combination of atomic orbitals with Hartree-Fock scheme and density functional theory. The full potential linearized augmented plane wave scheme to calculate these properties and the Fermi surface topology (except the momentum densities) have also been used to analyze the theoretical data on the electron momentum densities. The directional Compton profiles have been measured using a 100 mCi 241Am Compton spectrometer. From the comparison, the measured anisotropies are found to be in good agreement with the SPR-KKR calculations. The band structure calculations are also compared with the available data.
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22

Arora, Gunjan, and B. L. Ahuja. "Compton Scattering and Electronic Properties of Tungsten Ditelluride." Solid State Phenomena 209 (November 2013): 107–10. http://dx.doi.org/10.4028/www.scientific.net/ssp.209.107.

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We report the first ever isotropic experimental Compton profile of tungsten ditelluride using 20 Ci 137Cs Compton spectrometer. To compare our experimental data, we have also computed the Compton profiles, energy bands, density of states and band gap using Hartree-Fock and density functional theory within linear combination of atomic orbitals. The measured data is found to be in better accordance with the generalised gradient approximation of density functional theory than Hartree-Fock and local density approximation. We have discussed the nature of bonding in WTe2 using energy bands and density of states.
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23

Ahuja, Babu Lal, Harsh Malhotra, and Sonal Mathur. "Electron Momentum Density In Europium Using A 137Cs Compton Spectrometer." Zeitschrift für Naturforschung A 60, no. 7 (July 1, 2005): 512–16. http://dx.doi.org/10.1515/zna-2005-0708.

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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
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24

Vyas, Vimal, Yogesh Chandra Sharma, Vinod Purvia, Narayan Lal Heda, Yamini Sharma, Babu Lal Ahuja, and Bal Krishna Sharma. "Compton Profile Study of Aluminium Nitride." Zeitschrift für Naturforschung A 62, no. 12 (December 1, 2007): 703–10. http://dx.doi.org/10.1515/zna-2007-1205.

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In this paper we report the ab-initio theoretical Compton profiles of aluminium nitride (AlN) in the framework of the Hartree-Fock, density functional theory and hybridization of Hartree-Fock to density functional theories using the CRYSTAL03 code. To compare our first ever theoretical data, we have also measured the isotropic Compton profile of AlN, using 59.54 keV γ -rays. The Hartree- Fock scheme-based Compton profile agrees better with the experiment than the other theories. The energy bands, density of states and Mulliken’s population analysis, using the CRYSTAL03 code, are also reported. Our band structure calculations show a large band gap, while Mulliken’s population analysis shows the ionic nature of bonding in AlN.
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25

Shiotani, N., N. Sakai, M. Ito, O. Mao, F. Itoh, H. Kawata, Y. Amemiya, and M. Ando. "Compton profiles of aluminium and silicon." Journal of Physics: Condensed Matter 1, SA (July 1, 1989): SA27—SA31. http://dx.doi.org/10.1088/0953-8984/1/sa/004.

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26

Alexandropoulos, N. G., and I. Theodoridou. "Compton Profiles of Non-Stoichiometric TiHx*." Zeitschrift für Physikalische Chemie 163, Part_2 (January 1989): 609–14. http://dx.doi.org/10.1524/zpch.1989.163.part_2.0609.

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27

Sundararajan, V., R. Asokamani, and D. G. Kanhere. "Anisotropies of Compton profiles in nickel." Physical Review B 38, no. 17 (December 15, 1988): 12653–55. http://dx.doi.org/10.1103/physrevb.38.12653.

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28

Angulo, J. C., J. Antol�n, and A. Zarzo. "Compton profiles and momentum space inequalities." Zeitschrift f�r Physik D Atoms, Molecules and Clusters 28, no. 4 (December 1993): 269–73. http://dx.doi.org/10.1007/bf01437258.

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29

Dutta, J., U. Laha, S. Mukhopadhyaya, and B. Talukdar. "Relativistic compton profiles for rare gases." Chemical Physics Letters 128, no. 3 (July 1986): 305–9. http://dx.doi.org/10.1016/0009-2614(86)80345-1.

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30

Chang, Chu-Nan, Chuhn-Chuh Chen, and Huey-Fen Liu. "The Compton profiles of vanadium oxides." Journal of Physics: Condensed Matter 4, no. 50 (December 14, 1992): 10445–52. http://dx.doi.org/10.1088/0953-8984/4/50/032.

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31

Chou, M. Y., Marvin L. Cohen, and Steven G. Louie. "Theoretical Compton profiles of graphite andLiC6." Physical Review B 33, no. 10 (May 15, 1986): 6619–26. http://dx.doi.org/10.1103/physrevb.33.6619.

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32

Khera, Shabha, Narayan Lal Heda, Sonal Mathur, and Babu Lal Ahuja. "Electronic Structure of Gadolinium and Dysprosium Using Compton Scattering Technique." Zeitschrift für Naturforschung A 61, no. 5-6 (June 1, 2006): 299–305. http://dx.doi.org/10.1515/zna-2006-5-615.

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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
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33

Ahuja, Babu Lal, and Narayan Lal Heda. "Use of a Lowest Intensity 241Am Compton Spectrometer for the Measurement of Directional Compton Profiles of ZnSe." Zeitschrift für Naturforschung A 61, no. 7-8 (August 1, 2006): 364–70. http://dx.doi.org/10.1515/zna-2006-7-809.

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In this paper we report on electron momentum densities in ZnSe using Compton scattering technique. For the directional measurements we have employed a newly developed 100 mCi 241Am Compton spectrometer which is based on a small disc source with shortest geometry. For the theoretical calculations we have employed a self-consistent Hartree-Fock linear combination of atomic orbitals (HF-LCAO) approach. It is seen that the anisotropy in the measured Compton profiles is well reproduced by our HF-LCAOcalculation and the other available pseudopotential data. The anisotropy in the Compton profiles is explained in terms of energy bands and bond length. - PACS numbers: 13.60.Fz, 78.70. Ck, 78.70.-g
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34

Hamouda, Samir Ahmed. "Gamma-Ray Compton Spectroscopy for Determination of Electron Momentum Distributions in Iron." Advanced Materials Research 815 (October 2013): 8–12. http://dx.doi.org/10.4028/www.scientific.net/amr.815.8.

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Compton profile measurement of iron polycrystalline sample has been performed with 662 keV γ-radiation from a caesium-137 source. The spectrometer calibration and data corrections for the high energy experiment are discussed. The data are compared with the augmented-plane-wave (APW) and linear combination of atomic orbitals (LCAO) band theoretical Compton profiles of iron. Both theoretical predictions show the band theories overestimate the momentum density at low momenta and underestimate it at intermediate momenta.
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35

Patel, U., T. Guruswamy, A. J. Krzysko, H. Charalambous, L. Gades, K. Wiaderek, O. Quaranta, et al. "High-resolution Compton spectroscopy using x-ray microcalorimeters." Review of Scientific Instruments 93, no. 11 (November 1, 2022): 113105. http://dx.doi.org/10.1063/5.0092693.

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X-ray Compton spectroscopy is one of the few direct probes of the electron momentum distribution of bulk materials in ambient and operando environments. We report high-resolution inelastic x-ray scattering experiments with high momentum and energy transfer performed at a storage-ring-based high-energy x-ray light source facility using an x-ray transition-edge sensor (TES) microcalorimeter detector. The performance was compared with a silicon drift detector (SDD), an energy-resolving semiconductor detector, and Compton profiles were measured for lithium and cobalt oxide powders relevant to lithium-ion battery research. Spectroscopic analysis of the measured Compton profiles demonstrates the high-sensitivity to the low- Z elements and oxidation states. The line shape analysis of the measured Compton profiles in comparison with computed Hartree–Fock profiles is usually limited by the resolution of the semiconductor detector. We have characterized an x-ray TES microcalorimeter detector for high-resolution Compton scattering experiments using a bending magnet source at the Advanced Photon Source with a double crystal monochromator, providing monochromatic photon energies near 27.5 keV. The momentum resolution below 0.16 atomic units (a.u.) was measured, yielding an improvement of more than a factor of 7 over a state-of-the-art SDD for the same scattering geometry. Furthermore, the lineshapes of narrow valence and broad core electron profiles of sealed lithium metal were clearly resolved using an x-ray TES compared to smeared and broadened lineshapes observed when using the SDD. High-resolution Compton scattering using the energy-resolving area detector shown here presents new opportunities for spatial imaging of electron momentum distributions for a wide class of materials with applications ranging from electrochemistry to condensed matter physics.
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36

Huotari, S., K. Hämäläinen, S. Manninen, S. Kaprzyk, A. Bansil, W. Caliebe, T. Buslaps, V. Honkimäki, and P. Suortti. "Energy dependence of experimental Be Compton profiles." Physical Review B 62, no. 12 (September 15, 2000): 7956–63. http://dx.doi.org/10.1103/physrevb.62.7956.

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37

Sahariya, J., and B. L. Ahuja. "Compton profiles and electronic properties of Nd." Physica Scripta 84, no. 6 (November 8, 2011): 065702. http://dx.doi.org/10.1088/0031-8949/84/06/065702.

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38

Alexandropoulos, N. G., T. Chatzigeorgiou, and I. Theodoridou. "Difference Compton profiles of calcium and CaH2." Philosophical Magazine B 57, no. 2 (February 1988): 191–96. http://dx.doi.org/10.1080/13642818808201614.

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39

Miyagawa, H., Y. Watanabe, N. Hiraoka, Y. Sakurai, and S. Nanao. "Magnetic compton profiles of DyCo4B and DyCo3B2." Journal de Physique IV (Proceedings) 104 (March 2003): 503–6. http://dx.doi.org/10.1051/jp4:20030132.

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40

Mo, Hai-ding, Ying Guo, Zhu-fang Gong, Bao-zhong Yang, Tie-jun Wu, and Zu-he Bian. "Compton Profiles of Graphite and Nanocrystalline Graphite." Chinese Physics Letters 13, no. 1 (January 1996): 5–8. http://dx.doi.org/10.1088/0256-307x/13/1/002.

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41

Sakurai, H., F. Itoh, M. Ota, H. Oike, K. Takano, X. Liu, and H. Kawata. "Magnetic compton profiles of Pd/Fe multilayers." Journal of Magnetism and Magnetic Materials 286 (February 2005): 410–15. http://dx.doi.org/10.1016/j.jmmm.2004.09.056.

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42

Karim, K. R. "Compton profiles of multiply ionized oxygen atoms." Journal of Quantitative Spectroscopy and Radiative Transfer 77, no. 1 (February 2003): 13–21. http://dx.doi.org/10.1016/s0022-4073(02)00072-9.

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43

Alexandropoulos, N. G., S. K. Danakas, K. T. Kotsis, and N. I. Papanicolaou. "Difference compton profiles of Zr and ZrH2." Solid State Communications 92, no. 5 (November 1994): 453–57. http://dx.doi.org/10.1016/0038-1098(94)90527-4.

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44

Exner, Alfred, Peter Schattschneider, and Ian E. McCarthy. "Compton profiles from amorphous allotropes of carbon." Micron 27, no. 1 (February 1996): 1–9. http://dx.doi.org/10.1016/0968-4328(95)00017-8.

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45

Bell, F. "Compton profiles by the 1. Born approximation." Zeitschrift f�r Physik D Atoms, Molecules and Clusters 3, no. 1 (March 1986): 97–98. http://dx.doi.org/10.1007/bf01442353.

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46

Kubo, Y., and S. Asano. "Magnetic Compton profiles of iron and nickel." Physical Review B 42, no. 7 (September 1, 1990): 4431–46. http://dx.doi.org/10.1103/physrevb.42.4431.

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47

Angulo, J. C., R. J. Yáñez, J. Antolín, and A. Zarzo. "Maximum-entropy analysis of atomic compton profiles." International Journal of Quantum Chemistry 56, no. 6 (December 15, 1995): 747–52. http://dx.doi.org/10.1002/qua.560560610.

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48

Jonas, P., P. Schattschneider, and P. Pongratz. "Removal of Bragg-Compton Channel Coupling in Electron Compton Scattering." Proceedings, annual meeting, Electron Microscopy Society of America 48, no. 2 (August 12, 1990): 24–25. http://dx.doi.org/10.1017/s0424820100133710.

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Electron Compton scattering is inelastic scattering of fast electrons at large angles off core or valence electrons. The energy of the scattered electron is increasingly lowered with scattering angle; the energy distribution can be shown to be an image of the electron momentum density distribution in the ground state.The most dominant problem in ECOSS (Electron Compton Scattering from Solids), is the Bragg-Compton channel coupling. Bragg scattered electrons in the specimen act as new sources for Compton scattering. Since these Compton events correspond to various scattering angles a number of Compton profiles with different maximum and width are superimposed in a measurement.The MethodWe may write the total measured intensity M at a particular energy loss E as a linear combination of coupled Bragg-Compton events. In the case of a systematic row reflection with i excited beams it is always possible to choose n = 2 * (i - 1) angles such that the system of linear equations can be solved with respect to I.
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49

Schütz, Wolfgang, Beate Waldeck, Dietmar Flösch, and Wolf Weyrich. "Compton Scattering Experiments with Polychromatic Radiation." Zeitschrift für Naturforschung A 48, no. 1-2 (February 1, 1993): 352–57. http://dx.doi.org/10.1515/zna-1993-1-264.

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Abstract We show an iterative algorithm that allows to obtain accurate Compton profiles J(q) from Compton scattering spectra I2 (ω2), if the excitation radiation is not strictly monochromatic. It requires knowledge of the spectral distribution of the primary radiation I1(ω1), validity of the impulse approximation and dominance of a monochromatic part in I1(ω1) over the polychromatic rest. Conversely, the primary spectrum is often experimentally not directly accessible. In such a situation it is possible to evaluate the primary spectrum I1(ω1) from the spectrum of scattered photons, I2(ω2), with a similar iterative algorithm. We use a scattering target of high atomic number in order to ensure that the elastically scattered photons dominate the inelastically scattered ones. From the scattered spectrum we get a model for the Compton profile that allows us to separate the inelastic part of the scattered spectrum from the elastic part, which, in turn, is proportional to the spectral distribution of the primary radiation.
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50

Journal, Baghdad Science. "Electronic Structure of Copper Antimony Using Compton Scattering Technique." Baghdad Science Journal 13, no. 1 (December 30, 2018): 167–73. http://dx.doi.org/10.21123/bsj.13.1.167-173.

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In this paper we present the first ever measured experimental electron momentum density of Cu2Sb at an intermediate resolution (0.6 a.u.) using 59.54 keV 241Am Compton spectrometer. The measurements are compared with the theoretical Compton profiles using density function theory (DFT) within a linear combination of an atomic orbitals (LCAO) method. In DFT calculation, Perdew-Burke-Ernzerhof (PBE) scheme is employed to treat correlation whereas exchange is included by following the Becke scheme. It is seen that various approximations within LCAO-DFT show relatively better agreement with the experimental Compton data. Ionic model calculations for a number of configurations (Cu+x/2)2(Sb-x) (0.0≤x≤2.0) are also performed utilizing free atom profiles, the ionic model suggests transfer of 2.0 electrons per Cu atom from 4s state to 5p state of Sb.
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