M
Mark S. Hybertsen
Researcher at Center for Functional Nanomaterials
Publications - 265
Citations - 28904
Mark S. Hybertsen is an academic researcher from Center for Functional Nanomaterials. The author has contributed to research in topics: Quasiparticle & Conductance. The author has an hindex of 75, co-authored 260 publications receiving 26170 citations. Previous affiliations of Mark S. Hybertsen include Brookhaven College & St. John's University.
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Journal ArticleDOI
Design of Medium Band Gap Ag—Bi—Nb—O and Ag—Bi—Ta—O Semiconductors for Driving Direct Water Splitting with Visible Light.
Limin Wang,Bingfei Cao,Wei Kang,Mark S. Hybertsen,Kazuhiko Maeda,Kazunari Domen,Peter G. Khalifah +6 more
TL;DR: In this article, solid state reaction of Ag2O, Bi2O3, Nb2O5, and Ta2O6 in molar ratios of 0.5:0.5 for (I) and 0.4: 0.418:1 for (II), resp.
Multi-code Benchmark on Simulated Ti K-edge X-ray Absorption Spectra of Ti-O Compounds
Fanchen Meng,B. Maurer,Fabian Peschel,Sencer Selcuk,Mark S. Hybertsen,Xiao-Chun Qu,Christiane Vorwerk,Claudia Draxl,John Vinson,Deyu Lu +9 more
TL;DR: In this paper , the convergence performance of first-principle simulated X-ray absorption spectroscopy (XAS) simulations is evaluated using the Ti-O-10 dataset and three state-of-the-art codes: xSpectra, ocean and exciting.
Journal ArticleDOI
Interface Strain and the Valence Band Offset at the Lattice Matched In0.53Ga0.47As/InP (001) Interface
TL;DR: In this article, total energy minimization calculations show that the interface bonds are strained in nominally lattice matched In 0.53 Ga 0.47 As/InP (001) heterostructures, in agreement with recent X-ray measurements.
Journal ArticleDOI
Calculation of the Hubbard-Type Many Body Interaction Parameters using Constrained Density Functional Theory
TL;DR: In this paper, the constrained density functional approach is used to calculate the energy surface as a function of local charge fluctuations in La2CuO4 and then mapped onto a self consistent mean field solution of the Hubbard model which allows extraction of the Coulomb interaction parameters when combined with oneelectron parameters derived from band structure results.