Daniel Aberg

Portrait of Daniel Aberg

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  • Title
    Research Staff
  • Email
    aberg2@llnl.gov
  • Phone
    (925) 423-0896
  • Organization
    Not Available

Research Interests

  • Opacities of HED plasmas, lead developer of Opus, an LTE opacity code
  • Ab initio calculations with applications in point defects and electron transport properties in semiconductors
  • Optical properties of rare-earth ions in host lattices

Ph.D., Physics, Uppsala University, Sweden, 2004

B.S., Physics, Mid Sweden University, Sweden, 1999

  1. K. Yang, Y. Cao, Y. Zhang, S. Fan, M. Tang, D. Åberg, B. Sadigh, and F. Zhou, "Self-supervised learning and prediction of microstructure evolution with convolutional recurrent neural networks", Patterns 2, 100243 (2021)
  2. P. Grabowski, D. Åberg, D. Fenn, B. G. Wilson, C. A. Iglesias, M. E. Foord, M. K. G. Kruse, H. Le, P. Minner, and M. Patel, "Opactity table generation", LLNL-TR-822774 (2021)
  3. C. Linderälv, D. Åberg, and P. Erhart, "Luminescence quenching via deep defect states: A recombination pathway via oxygen vacancies in Ce-doped YAG", Chem. Mater. 33, 73 (2020)
  4. J. Nilsen, D. Åberg, H. D. Whitley, B. G. Wilson, L. H. Yang, P. A. Sterne, M. W. Däne, M. E. Martin, S. Zhang, and W. R. Johnson, "Role of opacity at the 9 keV back lighter energy used in measuring the equation of state of boron at pressures up to a Gbar", High Energy Density Phys. 37, 100880 (2020)
  5. D. Åberg, D. Fenn, M. E. Foord, P. E. Grabowski, C. A. Iglesias, M. K. G. Kruse, and B. G. Wilson, "The Opus radiative opacity code, a new implementation of the super-transition array method", LLNL-TR-813832 (2020)
  6. F. Zhou, B. Sadigh, D. Åberg, Y. Xia, and V. Ozolins, "Compressive sensing lattice dynamics. II. Efficient phonon calculations and long-range interactions", Phys. Rev. B 100, 184309 (2019)
  7. A. Landa, P. Söderlind, D. Parker, D. Åberg, V. Lordi, A. Perron, P. E. A. Turchi, R. K. Chouhan, D. Paudyal, and Thomas A Lograsso, "Thermodynamics of SmCo5 compound doped with Fe and Ni: An ab initio study", J. Alloys Compd. 765, 659 (2018)
  8. R. A. Osborne, N. J. Cherepy, D. Åberg, F, Zhou, Z. M. Seeley, S. A. Payne, A. D. Drobshoff, H. A. Comanzo, and A. M. Srivastava, "Ba1−x SrxMg3SiN4: Eu narrowband red phosphor", Opt. Mater. 84, 130 (2018)
  9. P. Söderlind, A. Landa, I. Locht, D. Åberg, Y. Kvashnin, M. Pereiro, M. Däne, P. E. A. Turchi, V. P. Antropov, and O. Eriksson, "Prediction of the new efficient permanent magnet SmCoNiFe3", Phys. Rev. B 96, 100404 (2017)
  10. A. Schleife, X. Zhang, Q. Li, P. Erhart, and D. Åberg, "Excitons in scintillator materials: Optical properties and electron-energy loss spectra of NaI, LaBr3, BaI2, and SrI2", J. Mater. Res. 32, 56 (2017)
  11. K. S. Holliday, T. A. Kohlgruber, I. C. Tran, D. Åberg, Z. M. Seeley, M. Bagge-Hansen, A. M. Srivastava, N. J. Cherepy, and S. A. Payne, "Increased fluorescence intensity in CaTiO3: Pr3+ phosphor due to NH3 treatment and Nb Co-doping", Opt. Mater. 60, 359 (2016)
  12. F. Zhou, B. Sadigh, P. Erhart, and D. Åberg, "Ab initio prediction of fast non-equilibriumtransport of nascent polarons in SrI2: a key to high-performance scintillation", NPJ Comp. Mat. 2, 1 (2016)
  13. K. E. Kweon , D. Åberg, and V. Lordi, "First-principles study of atomic and electronic structures of 60◦ perfect and 30◦/90◦ partial glide dislocations in CdTe", Phys. Rev. B 93, 174109 (2016)
  14. F. Zhou and D. Åberg, "Crystal-field calculations for transition-metal ions by application of an opposing potential", Phys. Rev. B 93, 085123 (2016)
  15. N. J. Cherepy, S. A. Payne, N. M. Harvey, D. Åberg, Z. M. Seeley, K. S. Holliday, I. C. Tran, F. Zhou, H. P. Martinez, J. M. Demeyer, A. D. Drobshoff, A. M. Srivastava, S. J. Camardello, H. A. Comanzo, D. L. Schlagel, and T. A. Lograsso, "Red-emitting manganese-doped aluminum nitride phosphor", Opt. Mater. 54, 14 (2016)
  16. B. Sadigh, P. Erhart, and D. Åberg, "Variational polaron self-interaction-corrected total-energy functional for charge excitations in insulators", Phys. Rev. B 92, 075202 (2015)
  17. M. Däne, S.-K. Kim. M. P. Surh, D. Åberg, and L. X. Benedict, "Density functional theory calculations of magnetocrystalline anisotropy energies for (Fe1–xCox)2B", J. Phys. Condens. Matter 27, 266002 (2015)
  18. J. C. Crowhurst, J. R. Jeffries, D. Åberg, J. M. Zaug, W. J. Siekhaus, K. S. Holiday, K. B. Knight, A. J. Nelson, and I. D. Hutcheon, "A combined theoretical and experimental investigation of uranium dioxide under high static pressure", J. Phys. Condens. Matter 27, 265401 (2015)
  19. S.-W. Yu, M. H. Carpenter, F. Ponce, S. Friedrich, J.-S. Lee, P. Olalde-Velasco, W. L. Yang and D. Åberg, "Energy levels of the Ce activator relative to the YAP(Ce) scintillator host", J. Phys. Condens. Matter 27, 185501 (2015)
  20. P. Erhart, B. Sadigh, A. Schleife, and D. Åberg, "First-principles study of codoping in lanthanum bromide", Phys. Rev. B 91, 165206 (2015)
  21. A. McAllister, D. Åberg, A. Schleife, E. Kioupakis, "Auger recombination in sodium-iodide scintillators from first principles", Appl. Phys. Lett. 106, 141901 (2015)
  22. D. Åberg, B. Sadigh, A. Schleife, and P. Erhart, “Origin of resolution enhancement by co-doping of scintil- lators: Insight from electronic structure calculations”, Appl. Phys. Lett. 104, 211908 (2014)
  23. V. Antropov, L. Ke, and D. Åberg, “Constituents of magnetic anisotropy and a screening of spin-orbit coupling in solids”, Solid. State. Commun. 194, 35 (2014)
  24. P. Erhart, A. Klein, D. Åberg, and B. Sadigh, “Efficacy of the DFT + U formalism for modeling hole polarons in perovskite oxides”, Phys. Rev. B 90, 035204 (2014)
  25. P. Erhart, A. Schleife, B. Sadigh, and D. Åberg, “Quasiparticle spectra, absorption spectra, and excitonic properties of NaI and SrI2 from many-body perturbation theory”, Phys. Rev. B 89, 075132 (2014)
  26. D. Åberg, P. Erhart, and V. Lordi, “Contributions of point defects, chemical disorder, and thermal vibrations to electronic properties of Cd1−xZnxTe alloys”, Phys. Rev. B 88, 045201 (2013)
  27. Q. Li, R. T. Williams, and D. Åberg, “First principles calculations and experiment predictions for iodine vacancy in SrI2", Phys. Status Solidi 250, 233 (2013)
  28. D. Åberg, B. Sadigh, and P. Erhart, “Electronic structure of LaBr3 from quasi-particle self-consistent GW calculations”, Phys. Rev. B 85, 125134 (2012)
  29. B. Sadigh, P. Erhart, D. Åberg, A. Trave, E. Schwegler, and J. Bude, “First-principles calculations of the Urbach tail in the optical absorption spectra of silica glass”, Phys. Rev. Lett. 106, 027401 (2011)
  30. X. Y. Wang, Y. M. Wang, D. Åberg, P. Erhart, N. Misra, A. Noy A, A. V. Hamza, and J.H. Yang, “Batteryless chemical detection with semiconductor nanowires”, Adv. Mater. 23, 117 (2011)
  31. P. Erhart, D. Åberg, B. W. Sturm, K.-J. Wu, and V. Lordi, “Theory-guided growth of aluminum antimonide single crystals with optimal properties for radiation detection", Appl. Phys. Lett. 97, 142104 (2010)
  32. D. Åberg, P. Erhart, J. Crowhurst, J. M. Zaug, A. F. Goncharov, and B. Sadigh, “Pressure-induced phase transition in the electronic structure of palladium nitride”, Phys. Rev. B 82, 104116 (2010)
  33. P. Erhart, D. Åberg, and V. Lordi, “Extrinsic point defects in aluminum antimonide”, Phys. Rev. B 81, 195216 (2010)
  34. V. Lordi, P. Erhart, and D. Åberg, “Charge carrier scattering by defects in semiconductors”, Phys. Rev. B 81, 235204 (2010)
  35. J. Crowhurst, A. Goncharov, B. Sadigh, J. M. Zaug, D. Åberg, Y. Meng, and V. Prakapenka, “Synthesis and characterization of nitrides of iridium and palladium”, J. Mater. Res. 23, 1 (2008)
  36. D. Åberg, B. Sadigh, J. Crowhurst, and A. F. Goncharov, “Thermodynamic ground states of platinum metal nitrides”, Phys. Rev. Lett. 100, 095501 (2008)
  37. D. Åberg, P. Erhart, A. J. Williamson, and V. Lordi, “Intrinsic point defects in aluminum antimonide”, Phys. Rev. B 77, 165206 (2008)
  38. M. Engholm, L. Norin, and D. Åberg, “Strong UV absorption and visible luminescence in ytterbium-doped aluminosilicate glass under UV excitation”, Opt. Lett. 32, 3352 (2007)
  39. S. Edvardsson, L. Nixin, and D. Åberg, ”The connection between the dynamic intensity model and the vibronic intensity model for f-f transitions”, J. Phys. B: At., Mol. Opt. Phys. 39, 2127 (2006)
  40. L. X. Nixin, S. Edvardsson, and D. Åberg, ”Dynamic intensity model calculation of vibronic oscillator strengths for Cs2NaNdCl6: A molecular dynamics study”, J. Phys. Chem. B 110, 21424 (2006)
  41. O. Wessely, P. Roy, and D. Åberg et al., ”Final state effects in the X-ray absorption spectra of La0.7Sr0.3MnO3”, J. Magn. Magn. Mater. 272, 1780 (2004)
  42. M. Colarieti-Tosti, S. I. Simak, R. Ahuja, L. Nordström, O. Eriksson, D. Åberg et al., ”Origin of magnetic anisotropy of Gd metal”, Phys. Rev. Lett. 91, 157201 (2003)
  43. D. Åberg, S. Edvardsson, and M. Engholm, ”Direct calculation of correlated absorption amplitudes for Nd:LiYF4”, Phys. Rev. B 68, 195105 (2003)
  44. O. Wessely, P. Roy, and D. Åberg et al., ”Initial and final state effects in the x-ray absorption process of La1-xSrx MnO3”, Phys. Rev. B 68, 235109 (2003)
  45. D. Åberg and S. Edvardsson, “Direct calculation of optical absorption amplitudes for trivalent rare-earth ions in LiYF4”, Phys. Rev. B 65, 04511 (2002)
  46. D. Åberg and S. Edvardsson, “The crystal dependent open-shell polarizability of f-elements: higher order contributions”, J. Alloys Compd. 303, 345 (2000)
  47. S. Edvardsson and D. Åberg, “The energy matrix using determinantal product states applied to Ho:YAG”,  J. Alloys Compd. 303, 280 (2000)

Published Computer Programs

  1. S. Edvardsson, D. Åberg, and P. Uddholm, ”A program for accurate solutions of two-electron atoms”, Comput. Phys. Commun. 165, 260 (2005)
  2. S. Edvardsson and D. Åberg, “An atomic program for energy levels of equivalent electrons: lanthanides and actinides”, Comput. Phys. Commun. 133, 396 (2001)