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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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism.
TL;DR: Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced.
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Maximally localized generalized Wannier functions for composite energy bands
Nicola Marzari,David Vanderbilt +1 more
TL;DR: In this paper, a method for determining the optimally localized set of generalized Wannier functions associated with a set of Bloch bands in a crystalline solid is presented, which is suitable for use in connection with conventional electronic-structure codes.
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Theory of polarization of crystalline solids
TL;DR: It is shown that physically $\ensuremath{\Delta}P can be interpreted as a displacement of the center of charge of the Wannier functions.
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Spontaneous polarization and piezoelectric constants of III-V nitrides
TL;DR: In this paper, the spontaneous polarization, dynamical Born charges, and piezoelectric constants of the III-V nitrides AlN, GaN, and InN are studied ab initio using the Berry-phase approach to polarization in solids.
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wannier90: A tool for obtaining maximally-localised Wannier functions ✩
Arash A. Mostofi,Jonathan R. Yates,Jonathan R. Yates,Young-Su Lee,Ivo Souza,Ivo Souza,David Vanderbilt,Nicola Marzari +7 more
TL;DR: Wannier90 is a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands, and is able to output MLWF for visualisation and other post-processing purposes.