[1]
|
Cooper, M.J. (1985) Compton scattering and electron momentum determination. Reports on Progress in Physics, 48, 415. doi:10.1088/0034-4885/48/4/001
|
[2]
|
Cooper, M.J., Mijnarends, P.E., Shiotani, N., Sakai, N. and Bansil, A. (2004) X-ray Compton scattering. Oxford University Press, New York.
doi:10.1093/acprof:oso/9780198501688.001.0001
|
[3]
|
Kaplan, I.G, Barbiellini, B. and Bansil, A. (2003) Compton scattering beyond the impulse approximation. Physical Review B, 68, 235104.
doi:10.1103/PhysRevB.68.235104
|
[4]
|
Zhang, F.X., Lang, M., Wang, J.W., Becker, U., Ewing, R.C. (2008) Structural phase transitions of cubic Gd2O3 at high pressures. Physical Review B, 78, 064114.
doi:10.1103/PhysRevB.78.064114
|
[5]
|
Faucher, M., Pannetier, J., Charreire, Y. and Caro, P. (1982) Refinement of the Nd2O3 and Nd2O2S structures at 4 K. Acta Crystallographica Section B, 38, 344. doi:10.1107/S056774088200288X
|
[6]
|
Prokofiev, A.V., Shelykh, A.I. and Melekh, B.T. (1996) Periodicity in the band gap variation of Ln2X3 (X = O, S, Se) in the lanthanides series. Journal of Alloys and Compounds, 242, 41. doi:10.1016/0925-8388(96)02293-1
|
[7]
|
Kimura, S., Arai, F. and Ikezawa, M., (2000), Optical study and electronic structure of rare earth sesquixoides. Journal of the Physical Society of Japan, 69, 3451.
doi:10.1143/JPSJ.69.3451
|
[8]
|
Hirosaki, N., Ogata, S. and Kocer, C. (2003) Ab intio calculation of the crystal structure of the lanthanide Ln2O3 sesquioxides. Journal of Alloys and Compounds, 351, 31. doi:10.1016/S0925-8388(02)01043-5
|
[9]
|
Petit, L., Svane, A., Szotek, Z. and Temmerman, W.M. (2005) First principle study of rare earth oxides. Physical Review B, 72, 205118. doi:10.1103/PhysRevB.72.205118
|
[10]
|
Singh, N., Saini, S.M., Nautiyal, T. and Auluck, S. (2006) Electronic structure and optical properties of rare earth sesquioxides (R2O3, R = La, Pr and Nd). Journal of Applied Physics, 100, 083525. doi:10.1063/1.2353267
|
[11]
|
Ahuja, B.L., Sharma, M. and Mathur, S. (2006) Anisotropy in the momentum density of tantalum. Nuclear Instruments and Methods in Physics Research Section B, 244, 419. doi:10.1016/j.nimb.2005.10.011
|
[12]
|
Timms, D.N. (1989) Ph.D. Thesis, University of Warwick, England.
|
[13]
|
Felsteiner, J., Pattison, P. and Cooper, M.J. (1974) Effect of multiple scattering on experimental Compton profiles: A Monte Carlo calculation. Philosophical Magazine, 30, 537. doi:10.1080/14786439808206579
|
[14]
|
Biggs, F., Mendelsohn, L.B. and Mann, J.B. (1975) Hartree—Fock Compton profiles. Atomic Data and Nuclear Data Tables, 16, 201.
doi:10.1016/0092-640X(75)90030-3
|
[15]
|
Dovesi, R., Saunders, V.R., Roetti, C., Orlando, R., Zicovich-Wilson, C.M., Pascale, F., Civalleri, B., Doll, K., Harrison, N.M., Bush, I.J., D’Arco, Ph. and Llunell, M., (2009) CRYSTAL09 user’s manual, University of Torino, Torino.
|
[16]
|
Dovesi, R., Orlando, R., Civalleri, B., Roetti, C., Saunders, V.R. and Zicovich-Wilson, C.M. (2005) CRYSTAL: A computational tool for the ab-initio study of the electronic properties of crystals. Zeitschrift für Kristallographie, 220, 571.
doi:10.1524/zkri.220.5.571.65065
|
[17]
|
Perdew, J.P., Burke, K. and Ernzerhof, M. (1996) Generalised gradient approximation made simple. Physical Review Letters, 77, 3865.
doi:10.1103/PhysRevLett.77.3865
|
[18]
|
Hammer, B., Hansen, L.B. and Norskov, J.K. (1999) Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals. Physical Review Letters, 59, 7413.
|
[19]
|
Zhao, Y. and Truhlar, D.G. (2008) Construction of a generalized gradient approximation by restoring thedensity-gradient expansion and enforcing a tight Lieb-Oxford bound. The Journal of Physical Chemistry B, 128, 184109. doi:10.1063/1.2912068
|
[20]
|
Towler, M.D., Zupan, A. and Causa, M. (1996) Density functional theory in periodic system using local Gaussian basis sets. Computer Physics Communications, 98, 181.
doi:10.1016/0010-4655(96)00078-1
|
[21]
|
Wu, Z. and Cohen, R.E. (2006) More accurate generalised gradient approximation for solids. Physical Review B, 73, 235116. doi:10.1103/PhysRevB.73.235116
|
[22]
|
Dolg, M., Stoll, H., Savin, A., and Preuss, H. (1989) Energy-adjusted pseudopotentials for the rare earth elements. Theoretical Chemistry Accounts, 75, 173.
doi:10.1007/BF00528565
|
[23]
|
Dolg, M., Stoll, H. and Preuss, H. (1993) A combination of quasirelativistic pseudopotential and ligand field calculations for lanthanoid compounds. Theoretical Chemistry Accounts, 85, 441. doi:10.1007/BF01112983
|
[24]
|
Johnson, D.D. (1998) Modified Broyden’s method for accelerating convergence in self-consistent calculations. Physical Review B, 38, 12807.
doi:10.1103/PhysRevB.38.12807
|