pith. sign in

David Vanderbilt (Department of Physics

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Papers (47)

  1. Dynamics of Berry-phase polarization in time-dependent electric fields cond-mat.mtrl-sci · 2003 · author #3
  2. Anomalous enhancement of tetragonality in PbTiO3 induced by negative pressure cond-mat.mtrl-sci · 2003 · author #3
  3. A first-principles study of oxygen vacancy pinning of domain walls in PbTiO3 cond-mat.mtrl-sci · 2003 · author #2
  4. Extrinsic models for the dielectric response of CaCu{3}Ti{4}O{12} cond-mat.mtrl-sci · 2003 · author #4
  5. First-principles study of (BiScO3){1-x}-(PbTiO3){x} piezoelectric alloys cond-mat.mtrl-sci · 2003 · author #2
  6. First-principles Study of Electronic and Dielectric Properties of ZrO2 and HfO2 cond-mat.mtrl-sci · 2003 · author #2
  7. Quantitative analysis of the first-principles effective-Hamiltonian approach to ferroelectric perovskites cond-mat.mtrl-sci · 2002 · author #4
  8. A First-Principles Approach to Insulators in Finite Electric Fields cond-mat.mtrl-sci · 2002 · author #3
  9. Theory of structural response to macroscopic electric fields in ferroelectric systems cond-mat.mtrl-sci · 2002 · author #3
  10. First-principles study of structural, vibrational and lattice dielectric properties of hafnium oxide cond-mat.mtrl-sci · 2002 · author #2
  11. A first-principles study of the structure and lattice dielectric response of CaCu{3}Ti{4}O{12} cond-mat.mtrl-sci · 2001 · author #4
  12. Ab initio study of ferroelectric domain walls in PbTiO3 cond-mat.mtrl-sci · 2001 · author #2
  13. Phonons and Lattice Dielectric Properties of Zirconia cond-mat.mtrl-sci · 2001 · author #2
  14. Maximally-localized Wannier functions for entangled energy bands cond-mat.mtrl-sci · 2001 · author #6
  15. Electric-field induced polarization paths in PZT alloys cond-mat.mtrl-sci · 2001 · author #6
  16. Low-temperature properties of PZT solid solutions near the morphotropic phase boundary cond-mat.mtrl-sci · 2001 · author #6
  17. Exponential decay properties of Wannier functions and related quantities cond-mat.mtrl-sci · 2001 · author #2
  18. Ab initio study of BaTiO3 and PbTiO3 surfaces in external electric fields cond-mat.mtrl-sci · 2000 · author #2
  19. Stability of the Period-Doubled Core of the 90-degree Partial in Silicon cond-mat.mtrl-sci · 2000 · author #4
  20. Models of core reconstruction for the 90-degree partial dislocation in semiconductors cond-mat.mtrl-sci · 2000 · author #4
  21. First-principles study of ferroelectric and antiferrodistortive instabilities in tetragonal SrTiO3 cond-mat.mtrl-sci · 2000 · author #2
  22. Finite-temperature properties of PZT alloys from first principles cond-mat.mtrl-sci · 2000 · author #6
  23. Compositional Inversion Symmetry Breaking in Ferroelectric Perovskites cond-mat.mtrl-sci · 2000 · author #3
  24. Theory of PbTiO3, BaTiO3, and SrTiO3 Surfaces cond-mat.mtrl-sci · 1999 · author #3
  25. Berry-phase theory of proper piezoelectric response cond-mat.mtrl-sci · 1999 · author #1
  26. Structure and oxidation kinetics of the Si(100)-SiO2 interface cond-mat.mtrl-sci · 1998 · author #2
  27. Heterovalent and A-atom effects in A(B'B'')O3 perovskite alloys cond-mat.mtrl-sci · 1998 · author #3
  28. Core reconstruction of the 90-degree partial dislocation in non-polar semiconductors cond-mat.mtrl-sci · 1998 · author #3
  29. Electrostatic model of atomic ordering in complex perovskite alloys cond-mat.mtrl-sci · 1998 · author #2
  30. Maximally-localized Wannier functions in perovskites: Cubic BaTiO3 cond-mat.mtrl-sci · 1998 · author #2
  31. Ferroelectric effects in PZT cond-mat.mtrl-sci · 1998 · author #3
  32. Temperature-dependent dielectric response of BaTiO3 from first principles cond-mat.mtrl-sci · 1998 · author #5
  33. Ab-initio study of SrTiO3 surfaces cond-mat.mtrl-sci · 1998 · author #2
  34. Electronic polarization in the ultrasoft pseudopotential formalism cond-mat.mtrl-sci · 1998 · author #1
  35. Electromechanical behavior of BaTiO3 from first principles cond-mat.mtrl-sci · 1997 · author #5
  36. Maximally-localized generalized Wannier functions for composite energy bands cond-mat.mtrl-sci · 1997 · author #2
  37. Nonlocality of Kohn-Sham exchange-correlation fields in dielectrics cond-mat.mtrl-sci · 1997 · author #1
  38. Structure and apparent topography of TiO2 (110) surfaces cond-mat.mtrl-sci · 1997 · author #2
  39. A period-doubled structure for the 90-degree partial dislocation in silicon cond-mat.mtrl-sci · 1997 · author #3
  40. Ensemble density-functional theory for ab-initio molecular dynamics of metals and finite-temperature insulators cond-mat.mtrl-sci · 1997 · author #7
  41. Ab-initio study of BaTiO3 surfaces cond-mat.mtrl-sci · 1997 · author #2
  42. Structure, barriers and relaxation mechanisms of kinks in the 90-degree partial dislocation in silicon mtrl-th · 1996 · author #3
  43. First-principles study of stability and vibrational properties of tetragonal PbTiO_3 mtrl-th · 1996 · author #5
  44. Semiconductor effective charges from tight-binding theory mtrl-th · 1996 · author #2
  45. First-principles investigation of 180-degree domain walls in BaTiO_3 mtrl-th · 1995 · author #3
  46. Effect of quantum fluctuations on structural phase transitions in SrTiO_3 and BaTiO_3 mtrl-th · 1995 · author #2
  47. Stability of periodic domain structures in a two-dimensional dipolar model cond-mat · 1995 · author #2

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