Unoccupied electronic structure of Al(111).
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Biomedical subjects
D Vanderbilt
Publications and source records attributed to D Vanderbilt.
Phase transitions in BaTiO3 from first principles.
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First-principles study of steps on the Si(111):H surface.
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Real-space approach to calculation of electric polarization and dielectric constants.
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First-principles study of antisite and interstitial phosphorus impurities in ZnSe.
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First-principles calculations of the energetics of stoichiometric TiO2 surfaces.
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Giant LO-TO splittings in perovskite ferroelectrics.
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First-principles study of crystalline silica.
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Defects on TiO2 (110) surfaces.
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First-principles investigation of ferroelectricity in perovskite compounds.
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Column-V acceptors in ZnSe.
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Electric polarization as a bulk quantity and its relation to surface charge.
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Comment on "Should all surfaces be reconstructed?"
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First-principles studies on structural properties of beta -cristobalite.
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Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials.
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Density-matrix electronic-structure method with linear system-size scaling.
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Ab initio studies on the structural and dynamical properties of ice.
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