Electronic properties of PbCl2 and PbBr2 using Compton scattering technique

Applied Radiation and Isotopes

Volumn 67, Issue 6, 2009, Pages 1050-1056

  Ahmed, G ^a   Sharma, Y ^b   Ahuja, B L ^a  

^a M L SUKHADIA UNIVERSITY   (India)

^b FEROZE GANDHI COLLEGE   (India)

Author keywords

Band structure calculations; Compton scattering; Density functional theory

Indexed keywords

BAND STRUCTURE CALCULATIONS; COMPTON; COMPTON PROFILES; COMPTON SCATTERING TECHNIQUES; DENSITY OF STATE; ELECTRON MOMENTUM DENSITIES; ENERGY BANDS; EXPERIMENTAL DATUM; EXPERIMENTAL INVESTIGATIONS; FULL POTENTIAL-LINEARIZED AUGMENTED PLANE WAVES; HARTREE-FOCK; LINE SHAPES; LINEAR COMBINATION OF ATOMIC ORBITALS; LUMINESCENCE PROPERTIES; POPULATION ANALYSIS;

BAND STRUCTURE; CESIUM; COMPTON SCATTERING; ELECTRONIC PROPERTIES; LITHIUM BATTERIES; LUMINESCENCE; MOLECULAR PHYSICS; QUANTUM CHEMISTRY; SURFACE STRUCTURE;

DENSITY FUNCTIONAL THEORY;

CESIUM 137; HALIDE; LEAD; LEAD CHLORIDE; LEAD BROMIDE;

ARTICLE; COMPTON EFFECT; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRIC POTENTIAL; ENERGY; LUMINESCENCE; PRIORITY JOURNAL; CHEMICAL MODEL; CHEMISTRY; ELECTRON; QUANTUM THEORY; RADIATION SCATTERING;

ELECTRONS; LEAD; LUMINESCENCE; MODELS, CHEMICAL; QUANTUM THEORY; SCATTERING, RADIATION;

EID: 64449083712     PISSN: 09698043     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apradiso.2009.01.083     Document Type: Article

References (32)

1. 137Cs γ-ray Compton spectrometer for the study of momentum densities. Pramana J. Phys. 65 1 (2005) 137-145
2. Ahuja B.L., Sharma M., and Mathur S. Anisotropy in the momentum density of tantalum. Nucl. Instr. Meth. B 244 (2006) 419-426
3. Babin V., Krasnikov A., Nikl M., Stolovits A., and Zazubovich S. On the interpretation of luminescence of lead halide crystals. Phys. Status Solidi b 229 (2002) 1295-1304
4. Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 38 6 (1988) 3098-3100
5. Biggs F., Mendelsohn L.B., and Mann J.B. Hartree-Fock Compton profiles. Atom. Data Nucl. Data Tables 16 3 (1975) 201-308
6. Blaha P., Schwarz K., Madsen G.K.H., Kvasnicka D., and Luitz J. WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (2001), Vienna University of Technology, Vienna, Austria
7. Blaha P., Schwarz K., Sorantin P., and Rickey S.B. Full-potential linearized augmented plane wave programs for crystalline systems. Comput. Phys. Commun. 59 (1990) 399-415
8. Cooper M.J. Compton scattering and electron momentum determination. Rep. Prog. Phys. 48 (1985) 415-481 (and reference therein)
9. Cooper M.J., Mijnarends P.E., Shiotani N., Sakai N., and Bansil A. X-ray Compton Scattering (2004), Oxford Science Publications, Oxford University Press, New York (and reference therein)
10. 2. Phys. Status Solidi b 76 (2006) 769-778
11. Felsteiner J., Pattison P., and Cooper M.J. Effect of multiple scattering on experimental Compton profiles: a Monte Carlo calculation. Philos. Mag. 30 (1974) 537-548
12. 2. J. Phys. Soc. Jpn. 60 (1991) 4393-4394
13. Fujita M., Itoh M., Bokumoto Y., Nakagawa H., Alov D.L., and Kitaura M. Optical spectra and electronic structures of lead halides. Phys. Rev. B 61 (2000) 15731-15737
14. 2 single crystals II. Luminescence and EPR of UV irradiated crystals. J. Solid State Chem. 5 (1972) 467-476
15. 2 crystals. Phys. Rev. B 62 (2000) 10766-10773
16. 2 and similar materials. J. Phys. Soc. Jpn. 43 (1977) 1280-1285
17. 2 in the exciton region. J. Phys. Soc. Jpn. 41 (1976) 942-949
18. Lee C., Yang W., and Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 37 2 (1988) 785-789
19. Nizam M., Bouteiller Y., and Allavena M. Determination of structural and vibrational properties of some lead compounds by pseudopotential methods. J. Mol. Struct. 159 (1987) 365-370
20. 2. Phys. Rev. B 21 (1980) 5813-5822
21. Plekhanov V.G. Lead halides: electronic properties and applications. Prog. Mater. Sci. 49 (2004) 787-886
22. 2 single crystals with orthorhombic structure. Phys. Status Solidi b 68 (1975) K35-K38
23. Plekhanov V.G. Optical constants of lead halides. Phys Status Solidi b 57 (1973) K55-K59
24. Pisani C., and Dovesi R. Exact exchange Hartree-Fock calculations for periodic systems I-illustration of the method. Int. J. Quant. Chem. 17 (1980) 501-516
25. Saunders, V.R., Dovesi, R., Roetti, C., Orlando, R., Zicovich-Wilson, C.M., Harrison, N.M., Doll, K., Civalleri, B., Bush, I.J., D'Arco, Ph., Llunell, M., 2003. CRYSTAL03 User's Manual. University of Torino, Torino.
26. Searle B.G. DL Visualize. Comput. Phys. Commun. 137 (2001) 25-32
27. Timms, D.N., 1989. Compton scattering studies of spin and momentum densities. Ph.D. Thesis, University of Warwick, UK (unpublished).
28. Towler M.D., Zupan A., and Causa M. Density functional theory in periodic system using local Gaussian basis sets. Comput. Phys. Commun. 98 (1996) 181-205
29. Vosko S.H., Wilk L., and Nusair M. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis. Can. J. Phys. 58 8 (1980) 1200-1211
30. Wadt W.R., and Hay P.J. Ab-initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi. J. Chem. Phys. 82 (1985) 284-298
31. In: Williams B.G. (Ed). Compton Scattering (1977), McGraw-Hill, New York
32. Wu Z., and Cohen R.E. More accurate generalized gradient approximation for solids. Phys. Rev. B 73 (2006) 235116-1-6