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David Vanderbilt

Identifiers

  • name variant David Vanderbilt 0.60 · backfill

Papers (127)

  1. Ferromagnetic Anomalous Hall Effect in Cr-doped Bi$_2$Se$_3$ Thin Films via Surface-State Engineering cond-mat.mtrl-sci · 2019 · author #5
  2. Metric-wave approach to flexoelectricity within density-functional perturbation theory cond-mat.mtrl-sci · 2018 · author #3
  3. Surfaces of Axion Insulators cond-mat.mtrl-sci · 2018 · author #2
  4. Covalency-driven collapse of strong spin-orbit coupling in face-sharing iridium octahedra cond-mat.str-el · 2018 · author #6
  5. Nearly triple nodal point topological phase in half-metallic GdN cond-mat.mtrl-sci · 2018 · author #3
  6. Trimer Bonding States on the Surface of Transition-metal Dichalcogenide TaTe2 cond-mat.mtrl-sci · 2018 · author #6
  7. Quantum theory of mechanical deformations cond-mat.mtrl-sci · 2018 · author #2
  8. Geometric and nongeometric contributions to the surface anomalous Hall conductivity cond-mat.mes-hall · 2018 · author #3
  9. Nature of the Magnetic Interactions in Sr$_3$NiIrO$_6$ cond-mat.mtrl-sci · 2018 · author #3
  10. Current-density implementation for calculating flexoelectric coefficients cond-mat.mtrl-sci · 2018 · author #3
  11. Nexus networks in carbon honeycombs cond-mat.mtrl-sci · 2017 · author #6
  12. Phonon-assisted spin splitting in centrosymmetric crystals cond-mat.mtrl-sci · 2017 · author #2
  13. Symmorphic intersecting nodal rings in semiconducting layers cond-mat.mtrl-sci · 2017 · author #5
  14. Temperature dependence of the bulk Rashba splitting in the bismuth tellurohalides cond-mat.mtrl-sci · 2017 · author #2
  15. Microscopic Theory of Spin Toroidization in Periodic Crystals cond-mat.mes-hall · 2017 · author #2
  16. Composite Weyl nodes stabilized by screw symmetry with and without time reversal cond-mat.mtrl-sci · 2017 · author #3
  17. Antiferroelectric topological insulators in orthorhombic $A$MgBi compounds ($A=$ Li, Na, K) cond-mat.mtrl-sci · 2017 · author #4
  18. Surface theorem for the Chern-Simons axion coupling cond-mat.mtrl-sci · 2016 · author #3
  19. Domain walls and ferroelectric reversal in corundum derivatives cond-mat.mtrl-sci · 2016 · author #2
  20. Z2Pack: Numerical Implementation of Hybrid Wannier Centers for Identifying Topological Materials cond-mat.mtrl-sci · 2016 · author #5
  21. Temperature effects in the band structure of topological insulators cond-mat.mtrl-sci · 2016 · author #2
  22. Correct implementation of polarization constants in wurtzite materials and impact on III-nitrides cond-mat.mtrl-sci · 2016 · author #4
  23. Flux states and topological phases from spontaneous time-reversal symmetry breaking in CrSi(Ge)Te$_3$-based systems cond-mat.mtrl-sci · 2016 · author #4
  24. Topological nodal-line semimetals in alkaline-earth stannides, germanides and silicides cond-mat.mtrl-sci · 2016 · author #3
  25. Tunable inverse topological heterostructure utilizing $(Bi_{1-x}In_{x})_{2}Se_{3}$ cond-mat.mtrl-sci · 2016 · author #8
  26. Ferroelectricity in corundum derivatives cond-mat.mtrl-sci · 2016 · author #2
  27. Intertwined Rashba, Dirac and Weyl Fermions in Hexagonal Hyperferroelectrics cond-mat.mtrl-sci · 2016 · author #5
  28. Gauge-discontinuity contributions to Chern-Simons orbital magnetoelectric coupling cond-mat.mes-hall · 2015 · author #2
  29. First-principles theory of flexoelectricity cond-mat.mtrl-sci · 2015 · author #2
  30. Emergence of a Chern-insulating state from a semi-Dirac dispersion cond-mat.mtrl-sci · 2015 · author #5
  31. Chiral degeneracies and Fermi-surface Chern numbers in bcc Fe cond-mat.mtrl-sci · 2015 · author #3
  32. Metal-insulator transition and topological properties of pyrochlore iridates cond-mat.str-el · 2015 · author #3
  33. Surface polarization and edge charges cond-mat.mtrl-sci · 2015 · author #3
  34. Magnetic charges and magnetoelectricity in hexagonal rare-earth manganites and ferrites cond-mat.mtrl-sci · 2015 · author #2
  35. Adiabatic Pumping of Chern-Simons Axion Coupling cond-mat.mes-hall · 2014 · author #2
  36. Weyl semimetals from noncentrosymmetric topological insulators cond-mat.mes-hall · 2014 · author #2
  37. Spin-orbit spillage as a measure of band inversion in insulators cond-mat.mes-hall · 2014 · author #2
  38. Quantum anomalous Hall phase in (001) double-perovskite monolayers via intersite spin-orbit coupling cond-mat.mtrl-sci · 2014 · author #4
  39. Chern insulator at a magnetic rocksalt interface cond-mat.mtrl-sci · 2014 · author #2
  40. Dynamical magnetic charges and linear magnetoelectricity cond-mat.mtrl-sci · 2014 · author #2
  41. Wannier Center Sheets in Topological Insulators cond-mat.mes-hall · 2013 · author #3
  42. Comment on "Weyl fermions and the anomalous Hall effect in metallic ferromagnets" cond-mat.mes-hall · 2013 · author #1
  43. Hyperferroelectrics: proper ferroelectrics with persistent polarization cond-mat.mtrl-sci · 2013 · author #3
  44. Topological phase transitions in (Bi$_{1-x}$In$_{x})_2$Se$_3$ and (Bi$_{1-x}$Sb$_{x})_2$Se$_3$ cond-mat.mtrl-sci · 2013 · author #2
  45. Effective J=1/2 insulating state in Ruddlesden-Popper iridates: An LDA+DMFT study cond-mat.str-el · 2013 · author #3
  46. Canonical magnetic insulators with isotropic magnetoelectric coupling cond-mat.mtrl-sci · 2013 · author #2
  47. First-principles theory and calculation of flexoelectricity cond-mat.mtrl-sci · 2013 · author #2
  48. Pseudopotentials for high-throughput DFT calculations cond-mat.mtrl-sci · 2013 · author #4
  49. Chern insulators from heavy atoms on magnetic substrates cond-mat.mtrl-sci · 2012 · author #2
  50. Electrically driven octahedral rotations in SrTiO3 and PbTiO3 cond-mat.mtrl-sci · 2012 · author #2
  51. Orthorhombic $ABC$ semiconductors as antiferroelectrics cond-mat.mtrl-sci · 2012 · author #4
  52. Bloch-type Domain Walls in Rhombohedral BaTiO3 cond-mat.mtrl-sci · 2012 · author #2
  53. Full magnetoelectric response of Cr2O3 from first principles cond-mat.mtrl-sci · 2012 · author #4
  54. Hexagonal $ABC$ as semiconducting ferroelectrics cond-mat.mtrl-sci · 2012 · author #4
  55. Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid cond-mat.mtrl-sci · 2012 · author #4
  56. Smooth gauge for topological insulators cond-mat.mes-hall · 2012 · author #2
  57. Maximally localized Wannier functions: Theory and applications cond-mat.mtrl-sci · 2011 · author #5
  58. Spin-phonon coupling effects in transition-metal perovskites:a DFT+$U$ and hybrid-functional study cond-mat.str-el · 2011 · author #5
  59. Wannier-based calculation of the orbital magnetization in crystals cond-mat.mtrl-sci · 2011 · author #2
  60. First-principles theory of frozen-ion flexoelectricity cond-mat.mtrl-sci · 2011 · author #2
  61. Interplay of epitaxial strain and rotations in PbTiO$_3$/PbZrO$_3$ superlattices from first principles cond-mat.mtrl-sci · 2011 · author #3
  62. Half-Heusler semiconductors as piezoelectrics cond-mat.mtrl-sci · 2011 · author #4
  63. Mapping the energy surface of PbTiO3 in multidimensional electric-displacement space cond-mat.mtrl-sci · 2011 · author #2
  64. Polar distortions in hydrogen bonded organic ferroelectrics cond-mat.mtrl-sci · 2011 · author #5
  65. Computing topological invariants without inversion symmetry cond-mat.mtrl-sci · 2011 · author #2
  66. Orbital magnetoelectric coupling at finite electric field cond-mat.mtrl-sci · 2011 · author #2
  67. Theory of prospective tetrahedral perovskite ferroelectrics cond-mat.mtrl-sci · 2010 · author #2
  68. Chern-Simons orbital magnetoelectric coupling in generic insulators cond-mat.mtrl-sci · 2010 · author #2
  69. Interface enhancement of ferroelectricity in CaTiO$_3$/BaTiO$_3$ superlattices cond-mat.mtrl-sci · 2010 · author #3
  70. Wannier representation of Z_2 topological insulators cond-mat.mes-hall · 2010 · author #2
  71. Si-compatible candidates for high-K dielectrics with the Pbnm perovskite structure cond-mat.mtrl-sci · 2010 · author #12
  72. Theory of orbital magnetoelectric response cond-mat.mes-hall · 2010 · author #4
  73. Orbital magnetoelectric coupling in band insulators cond-mat.mes-hall · 2010 · author #4
  74. First-principles study of high-field piezoelectricity in tetragonal PbTiO3 cond-mat.mtrl-sci · 2009 · author #3
  75. Berry-phase theory of polar discontinuities at oxide-oxide interfaces cond-mat.mtrl-sci · 2009 · author #2
  76. Dependence of electronic polarization on octahedral rotations in TbMnO3 from first principles cond-mat.mtrl-sci · 2009 · author #2
  77. First-principles modeling of ferroelectric capacitors via constrained-D calculations cond-mat.mtrl-sci · 2009 · author #2
  78. First-principles modeling of multferroic RMn$_2$O$_5$ cond-mat.mtrl-sci · 2009 · author #3
  79. First-principles theory of magnetically induced ferroelectricity in TbMnO3 cond-mat.mtrl-sci · 2009 · author #2
  80. Theoretical investigation of polarization-compensated II-IV/I-V perovskite superlattices cond-mat.mtrl-sci · 2008 · author #2
  81. Ideal barriers to polarization reversal and domain-wall motion in strained ferroelectric thin films cond-mat.mtrl-sci · 2008 · author #4
  82. Enhancement of ferroelectricity at metal/oxide interfaces cond-mat.mtrl-sci · 2008 · author #2
  83. Electric polarization in a Chern insulator cond-mat.mes-hall · 2008 · author #2
  84. Maximally-localized Wannier functions for GW quasiparticles cond-mat.mtrl-sci · 2008 · author #2
  85. Magnetoelectric polarizability and axion electrodynamics in crystalline insulators cond-mat.mes-hall · 2008 · author #3
  86. Ab initio calculations of the atomic and electronic structure of CaTiO3 (001) and (011) surfaces cond-mat.mtrl-sci · 2008 · author #2
  87. Structural stability and lattice dynamics of SiO2 cristobalite cond-mat.mtrl-sci · 2008 · author #2
  88. Electric displacement as the fundamental variable in electronic-structure calculations cond-mat.mtrl-sci · 2008 · author #3
  89. Predicting polarization and nonlinear dielectric response of arbitrary perovskite superlattice sequences cond-mat.mtrl-sci · 2008 · author #4
  90. Fast Molecular-Dynamics Simulation for Ferroelectric Thin-Film Capacitors Using a First-Principles Effective Hamiltonian cond-mat.mtrl-sci · 2008 · author #4
  91. First-principles study of improper ferroelectricity in TbMnO3 cond-mat.mtrl-sci · 2008 · author #2
  92. First-principles modeling of strain in perovskite ferroelectric thin films cond-mat.mtrl-sci · 2008 · author #2
  93. Ab initio calculations of BaTiO3 and PbTiO3 (001) and (011) surface structure cond-mat.mtrl-sci · 2007 · author #2
  94. A converse approach to the calculation of NMR shielding tensors cond-mat.mtrl-sci · 2007 · author #6
  95. Dichroic f-sum rule and the orbital magnetization of crystals cond-mat.mtrl-sci · 2007 · author #2
  96. Fermi-surface calculation of the anomalous Hall conductivity cond-mat.mtrl-sci · 2007 · author #2
  97. Theoretical study of ferroelectric potassium nitrate cond-mat.mtrl-sci · 2007 · author #2
  98. Suppressed dependence of polarization on epitaxial strain in highly polar ferroelectrics cond-mat.mtrl-sci · 2007 · author #6
  99. Spectral and Fermi surface properties from Wannier interpolation cond-mat.mtrl-sci · 2007 · author #3
  100. Theoretical phase diagram of ultrathin films of incipient ferroelectrics cond-mat.mtrl-sci · 2007 · author #4
  101. First-principles perturbative computation of dielectric and Born charge tensors in finite electric fields cond-mat.mtrl-sci · 2006 · author #2
  102. Nonlinear optics of III-V semiconductors in the terahertz regime: an ab-initio study cond-mat.mtrl-sci · 2006 · author #4
  103. First-principles study of polarization in ZnMgO cond-mat.other · 2006 · author #2
  104. The insulator/Chern-insulator transition in the Haldane model cond-mat.mes-hall · 2006 · author #2
  105. Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation cond-mat.mtrl-sci · 2006 · author #4
  106. Structural and dielectric properties of amorphous ZrO2 and HfO2 cond-mat.mtrl-sci · 2006 · author #2
  107. Wannier-based definition of layer polarizations in perovskite superlattices cond-mat.mtrl-sci · 2006 · author #4
  108. First-Principles Perturbative Computation of Phonon Properties of Insulators in Finite Electric Fields cond-mat.mtrl-sci · 2006 · author #2
  109. Importance of second-order piezoelectric effects in zincblende semiconductors cond-mat.mtrl-sci · 2006 · author #3
  110. Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals cond-mat.mtrl-sci · 2005 · author #3
  111. Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180$^\circ$ domain walls cond-mat.mtrl-sci · 2005 · author #2
  112. First-Principles Calculations at Constant Polarization cond-mat.mtrl-sci · 2005 · author #2
  113. First-principles study of epitaxial strain in perovskites cond-mat.mtrl-sci · 2005 · author #3
  114. Orbital magnetization in periodic insulators cond-mat.mtrl-sci · 2005 · author #3
  115. Polarization enhancement in two- and three-component ferroelectric superlattices cond-mat.mtrl-sci · 2005 · author #3
  116. Atomistic simulations of the incipient ferroelectric KTaO$_3$ cond-mat.mtrl-sci · 2004 · author #5
  117. Lattice dielectric response of CdCu{3}Ti{4}O{12} and of CaCu{3}Ti{4}O{12} from first principles cond-mat.mtrl-sci · 2002 · author #3
  118. Monoclinic and triclinic phases in higher-order Devonshire theory cond-mat.mtrl-sci · 2000 · author #1
  119. Wannier-function description of the electronic polarization and infrared absorption of high-pressure hydrogen cond-mat.mtrl-sci · 2000 · author #5
  120. Properties of a continuous-random-network model for amorphous systems cond-mat.stat-mech · 1998 · author #4
  121. First-principles theory of structural phase transitions for perovskites: competing instabilities cond-mat.mtrl-sci · 1997 · author #1
  122. Offsets and polarization at strained AlN/GaN polar interfaces cond-mat.mtrl-sci · 1996 · author #3
  123. Chemical Hardness, Linear Response, and Pseudopotential Transferability mtrl-th · 1995 · author #2
  124. First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3 mtrl-th · 1995 · author #2
  125. Generalization of the density-matrix method to a non-orthogonal basis cond-mat · 1994 · author #2
  126. Phase transitions in BaTiO$_3$ from first principles cond-mat · 1994 · author #2
  127. Real-space approach to calculation of electric polarization and dielectric constants cond-mat · 1994 · author #2

Mentions

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Frequent Coauthors