D
David Vanderbilt
Researcher at Rutgers University
Publications - 451
Citations - 76819
David Vanderbilt is an academic researcher from Rutgers University. The author has contributed to research in topics: Wannier function & Ferroelectricity. The author has an hindex of 104, co-authored 426 publications receiving 67024 citations. Previous affiliations of David Vanderbilt include Rowland Institute for Science & University of Geneva.
Papers
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First-principles study of ferroelectric and antiferrodistortive instabilities in tetragonal SrTiO 3
Na Sai,David Vanderbilt +1 more
TL;DR: In this article, the authors carried out first-principles density-functional calculations of the antiferrodistortive (AFD) and ferroelectric (FE) soft-mode instabilities in tetragonal ground states with the structural degrees of freedom treated in a classical, zero-temperature framework.
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Period-doubled structure for the 90 partial dislocation in silicon
TL;DR: In this paper, the authors suggest that the commonly accepted core structure of the 90 − partial dislocation in Si may not be correct, and propose instead a period-doubled structure.
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Effective J = 1 / 2 Insulating State in Ruddlesden-Popper Iridates: An LDA + DMFT Study
TL;DR: It is demonstrated that the deviation from the ideal Jeff=1/2 state is negligible at short time scales for both single- and double-layer iridates, while it becomes quite significant for Sr3Ir2O7 at long times and low energy.
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Fast molecular-dynamics simulation for ferroelectric thin-film capacitors using a first-principles effective Hamiltonian
TL;DR: In this paper, a fast molecular dynamics method is applied to ferroelectric thin-film capacitors with short-circuited electrodes or under applied voltage, and it is shown that dead layers (or passive layers) between ferroelectrics and electrodes markedly affect the properties of capacitors.
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Structural, electronic, and dielectric properties of ultrathin zirconia films on silicon
Safak Sayan,Nhan V. Nguyen,James R. Ehrstein,Thomas J. Emge,Eric Garfunkel,Mark Croft,Xinyuan Zhao,David Vanderbilt,Igor Levin,Evgeni Gusev,Hyoungsub Kim,P. J. McIntyre +11 more
TL;DR: The as-deposited films reported in this paper appear amorphous below a critical thickness (∼5.4nm) and transform to a predominantly tetragonal phase upon annealing.