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Quasiparticle energy bands of NiO in the GW approximation

Bibliographic reference Li, JL ; Rignanese, Gian-Marco ; Louie, SG. Quasiparticle energy bands of NiO in the GW approximation. In: Physical Review B, Vol. 71, no. 19, p. 193102 (2005)
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  1. Sawatzky G. A., Allen J. W., Magnitude and Origin of the Band Gap in NiO, 10.1103/physrevlett.53.2339
  2. Hüfner S., Osterwalder J., Riesterer T., Hulliger F., Photoemission and inverse photoemission spectroscopy of NiO, 10.1016/0038-1098(84)90007-3
  3. Powell R. J., Spicer W. E., Optical Properties of NiO and CoO, 10.1103/physrevb.2.2182
  4. Scheidt H., Glöbl M., Dose V., The oxidation of nickel: A study of empty electronic states by inverse photoemission and soft X-ray appearance potential spectroscopy, 10.1016/0039-6028(81)90336-8
  5. GORSCHLÜTER A., MERZ H., EELS STUDY OF SINGLE CRYSTALLINE NiO(100), 10.1142/s0217979293000718
  6. Brandow B.H., Electronic structure of Mott insulators, 10.1080/00018737700101443
  7. H�fner S., Steiner P., Sander I., Reinert F., Schmitt H., The optical gap of NiO, 10.1007/bf01313827
  8. Terakura K., Oguchi T., Williams A. R., Kübler J., Band theory of insulating transition-metal monoxides: Band-structure calculations, 10.1103/physrevb.30.4734
  9. Leung T. C., Chan C. T., Harmon B. N., Ground-state properties of Fe, Co, Ni, and their monoxides: Results of the generalized gradient approximation, 10.1103/physrevb.44.2923
  10. P. Dufek, Phys. Rev. B, 49, 10 (1994)
  11. Dudarev S. L., Peng L.-M., Savrasov S. Y., Zuo J.-M., Correlation effects in the ground-state charge density of Mott insulating NiO: A comparison ofab initiocalculations and high-energy electron diffraction measurements, 10.1103/physrevb.61.2506
  12. Bredow Thomas, Gerson Andrea R., Effect of exchange and correlation on bulk properties of MgO, NiO, and CoO, 10.1103/physrevb.61.5194
  13. Svane A., Gunnarsson O., Hydrogen solid in self-interaction-corrected local-spin-density approximation, 10.1016/0038-1098(90)90641-n
  14. Szotek Z., Temmerman W. M., Winter H., Application of the self-interaction correction to transition-metal oxides, 10.1103/physrevb.47.4029
  15. Anisimov Vladimir I., Zaanen Jan, Andersen Ole K., Band theory and Mott insulators: HubbardUinstead of StonerI, 10.1103/physrevb.44.943
  16. Hedin Lars, New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem, 10.1103/physrev.139.a796
  17. Hybertsen Mark S., Louie Steven G., Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies, 10.1103/physrevb.34.5390
  18. Aryasetiawan F., Gunnarsson O., Electronic Structure of NiO in theGWApproximation, 10.1103/physrevlett.74.3221
  19. S. Massidda, Phys. Rev. B, 55, 13 (1997)
  20. Faleev Sergey V., van Schilfgaarde Mark, Kotani Takao, All-Electron Self-ConsistentGWApproximation: Application to Si, MnO, and NiO, 10.1103/physrevlett.93.126406
  21. Li Je-Luen, Rignanese G.-M., Chang Eric K., Blase Xavier, Louie Steven G., GWstudy of the metal-insulator transition of bcc hydrogen, 10.1103/physrevb.66.035102
  22. Rohlfing Michael, Krüger Peter, Pollmann Johannes, Quasiparticle Band Structure of CdS, 10.1103/physrevlett.75.3489
  23. Monkhorst Hendrik J., Pack James D., Special points for Brillouin-zone integrations, 10.1103/physrevb.13.5188
  24. Perdew John P., Burke Kieron, Ernzerhof Matthias, Generalized Gradient Approximation Made Simple, 10.1103/physrevlett.77.3865
  25. Rohlfing Michael, Louie Steven G., Electron-Hole Excitations in Semiconductors and Insulators, 10.1103/physrevlett.81.2312
  26. Shen Z.-X., List R. S., Dessau D. S., Wells B. O., Jepsen O., Arko A. J., Barttlet R., Shih C. K., Parmigiani F., Huang J. C., Lindberg P. A. P., Electronic structure of NiO: Correlation and band effects, 10.1103/physrevb.44.3604
  27. Oh S. -J., Allen J. W., Lindau I., Mikkelsen J. C., Resonant valence-band satellites and polar fluctuations in nickel and its compounds, 10.1103/physrevb.26.4845
  28. Rao K. V., Smakula A., Dielectric Properties of Cobalt Oxide, Nickel Oxide, and Their Mixed Crystals, 10.1063/1.1714397
  29. Fender B. E. F., Jacobson A. J., Wedgwood F. A., Covalency Parameters in MnO, α‐MnS, and NiO, 10.1063/1.1668855
  30. H. A. Alperin, J. Phys. Soc. Jpn., 17, 12 (1962)
  31. Cheetham A. K., Hope D. A. O., Magnetic ordering and exchange effects in the antiferromagnetic solid solutionsMnxNi1−xO, 10.1103/physrevb.27.6964