List of Publications

  1. Tree based machine learning framework for predicting ground state energies of molecules, Journal of Chemical Physics 145, 134101 (2016), B. Himmetoglu.
  2. Metal versus insulator behavior in ultra thin SrTiO3 based heterostructures, Physical Review B 94, 035115 (2016), L. Bjaalie, A.Janotti, B. Himmetoglu, and C. G. Van de Walle.
  3. Atomic bonding effects in annular dark field scanning transition electron microscopy. I. Computational Predictions, Journal of Vacuum Science & Technology A 34, 041602 (2016), M. L. Odlyzko, B. Himmetoglu, M. Cococcioni, and K. A. Mkhoyan.
  4. BaSnO3 as a channel material in perovskite oxide heterostructures, K. Krishnaswamy, Applied Physics Letters 108, 083501 (2016), L. Bjaalie, B. Himmetoglu, A. Janotti, L. Gordon, and C. G. Van de Walle.
  5. DFT calculation and experimental investigation of Mn doping effect in Fe16N2, AIP Advances 6, 056007 (2016), Y. Jiang, B. Himmetoglu, M. Cococcioni, and J.-P. Wang.
  6. Transport properties of KTaO3 from first-principles, Journal of Physics: Condensed Matter 28, 065502 (2016), B. Himmetoglu and A. Janotti.
  7. Effects of biaxial stress and layer thickness on octahedral tilts in LaNiO3, Applied Physics Letters 107, 261901 (2015), P. M. McBride, A. Janotti, C. E. Dreyer, B. Himmetoglu, C. G. Van de Walle.
  8. Observation by resonant angle-resolved photoemission of a critical thickness for 2-dimensional electron gas formation in SrTiO3 embedded in GdTiO3, Applied Physics Letters 107, 231602 (2015) ,S. Nemšák, G. Conti, G. K. Palsson, C. Conlon, S. Cho, J. E. Rault, J. Avila, M. -C. Asensio, C. A. Jackson, P. Moetakef, A. Janotti, L. Bjaalie, B. Himmetoglu, C. G. Van de Walle, L. Balents, C. M. Schneider, S. Stemmer, C. S. Fadley.
  9. Tuning bad metal and non-Fermi liquid behavior in Mott material: Rare-earth nickalate thin films, Science Advanced 1, e1500797 (2015), E. Mikheev, A. J. Hauser, B. Himmetoglu, N. E. Moreno, A. Janotti, C. G. Van de Walle, and S. Stemmer.
  10. Structrural and electronic properties of SrZrO3 and Sr(Ti,Zr)O3 alloys, Physical Review B 92, 085201 (2015), L. Weston, A. Janotti, X. Y. Cui, B. Himmetoglu, C. Stampfl, and C. G. Van de Walle.
  11. Determination of the Mott-Hubbard gap in GdTiO3, Physical Review B 92, 085111 (2015), L. Bjaalie, A. Verma, B. Himmetoglu, A. Janotti, S. Raghavan, V. Protasenko, E. H. Steenbergen, D. Jena, S. Stemmer, and C. G. Van de Walle.
  12. Small hole polarons in rare-earth titanates, Applied Physics Letters 106, 232103 (2015), L.Bjaalie, D. G. Ouellette, P. Moetakef, T. A. Cain, A. Janotti, B. Himmetoglu, S. J. Allen, S. Stemmer, and C. G. Van de Walle.
  13. Limitations of the room temperature mobility of two and three dimensional electron liquids in SrTiO3, Applied Physics Letters 106, 062102 (2015), E. Mikheev, B. Himmetoglu, A. P. Kajdos, P. Moetakef, T. A. Cain, C. G. Van de Walle, and S. Stemmer.
  14. First-principles study of the mobility of SrTiO3, Physical Review B 90 241204(R) (2014), B.Himmetoglu, A. Janotti, H. Peelaers, A. Alkauskas, and C. G. Van de Walle.
  15. Searching for high magnetization density in bulk Fe: the new metastable Fe6 phase, Journal of Physics: Condensed Matter 27, 016001 (2014), K. Umemoto, B. Himmetoglu, J.-P. Wang, R. M. Wentzcovitch, and M. Cococcioni.
  16. Turning SrTiO3 into a Mott insulator, Physical Review B 90, 196117 (2014), L. Bjaalie, A. Janotti, B. Himmetoglu, and C. G. Van de Walle.
  17. Interband and polaronic excitations of YTiO3 from first principles, Physical Review B 90, 161102(R) (2014), B. Himmetoglu, A. Janotti, L. Bjaalie, and C. G. Van de Walle.
  18. Band alignment at band-insulator/Mott-insulator interfaces, Physica Status Solidi RRL 8, 577 (2014), A. Janotti, L. Bjaalie, B. Himmetoglu, and C. G. Van de Walle.
  19. Oxide interfaces for novel electronic applications, New Journal of Physics 16, 025005 (2014), L. Bjaalie, B. Himmetoglu, L. Weston, A. Janotti, and C. G. Van de Walle.
  20. Hubbard corrected DFT energy functionals: LDA+U description of correlated systems, International Journal of Quantum Chemistry 114, 14 (2013), B. Himmetoglu, A. Floris, S. de Gironcoli, and M. Cococcioni.
  21. Role of electronic localization in the presence of iridium sensitizing dyes, Journal of Chemical Physics 137, 154309 (2012), B. Himmetoglu, A. Marchenko, I. Dabo, and M. Cococcioni.
  22. First principles calculation of the electronic properties and lattice dynamics of Cu2ZnSn(S1-xSx)4, Journal of Applied Physics 111, 123704 (2012), A. Khare, B. Himmetoglu, M. Cococcioni, and E. S. Aydil.
  23. Calculation of the lattice dynamics and Raman spectra of copper zinc tin chalcogenides and comparison with experiments, Journal of Applied Physics 111, 083707 (2012), A. Khare, B. Himmetoglu, M. Johnson, D. J. Norris, M. Cococcioni, and E. S. Aydil.
  24. Origin of magnetic interactions and their influence on the structural properties of Ni2MnGa and related compounds, Journal of Physics: Condensed Matter 24, 185501 (2012), B. Himmetoglu, V. M. Katukuri, and M. Cococcioni.
  25. First principles study of the electronic and structural properties of CuO, Physical Review B 84, 115108 (2011), B. Himmetoglu, R. M. Wentzcovitch, and M. Cococcioni.
  26. Scalar-scalar, scalar-tensor, and tensor-tensor correlators from anisotropic inflation, Physical Review D 81, 0635528 (2010), A. E. Gumrukcuoglu, B. Himmetoglu, and, M. Peloso.
  27. Spectrum of perturbations in anisotropic inflationary universe with vector hair, Journal of Cosmology and Astrophysics 1003, 023 (2010), B. Himmetoglu.
  28. Ghost instabilities of cosmological models with vector fields non minimally coupled to curvature, Physical Review D 80, 123530 (2009), B. Himmetoglu, C. R. Contaldi, and M. Peloso.
  29. Instability of the ACW model and problems with massive vectors during inflation, Physical Review D 79, 063517 (2009), B. Himmetoglu, C. R. Contaldi, and M. Peloso.
  30. Instability of anisotropic cosmological solutions supported by vector fields, Physical Review Letters 102, 111301 (2009), B. Himmetoglu, C. R. Contaldi, and M. Peloso.
  31. Isolated Minkowski vacua and stability analysis for an extended brane in the rugby ball, Nuclear Physics B 773, 84 (2007), B. Himmetoglu, and M. Peloso.
  32. Multi shell model for Majumdar-Papapetrou spacetimes, Physical Review D 72, 024032 (2005), M. Gurses, and B. Himmetoglu.