Results 11 to 20 of about 878,894 (294)

Graphene electronic structure in charge density waves [PDF]

Journal of Materials Research, 2017
Abstract
Vail, John M., Hernandez, Oscar J., Si, Ming-Su, Wang, Zhoufei   +3 more
openaire   +2 more sources

Electronic and Structural Fingerprints of Charge-Density-Wave Excitations in Extreme Ultraviolet Transient Absorption Spectroscopy

Physical Review X, 2023
Femtosecond core-level transient absorption spectroscopy is utilized to investigate photoinduced dynamics of the charge density wave in 1T-TiSe_{2} at the Ti M_{2,3} edge (32–50 eV).
Tobias Heinrich, Hung-Tzu Chang, Sergey Zayko, Kai Rossnagel, Murat Sivis, Claus Ropers   +5 more
doaj   +1 more source

Electron Density Distributions and Atomic Charges [PDF]

Zeitschrift für Naturforschung A, 1993
Abstract Accurate electron densities and X-ray form factors of Li, Be, F and their ions have been calculated. Electron correlation, crystal fields and ionic charge transfer change the form factors by up to a few percent, mainly in the range of sin θ/ λ < 1/3 Â -1 .
B. Hess, H. L. Lin, J. E. Niu, W. H. E. Schwarz   +3 more
openaire   +1 more source

X-Ray sum frequency generation; direct imaging of ultrafast electron dynamics [PDF]

, 2018
X-ray diffraction from molecules in the ground state produces an image of their charge density, and time-resolved X-ray diffraction can thus monitor the motion of the nuclei.
Bennett, Kochise, Kowalewski, Markus, Mukamel, Shaul, Rouxel, Jérémy R.   +3 more
core   +2 more sources

Electronic charge densities in PbSe and PbTe [PDF]

Physical Review B, 1975
The electronic charge densities for PbSe and PbTe are derived from recent pseudopotential-band-structure calculations. The results are displayed as contour plots for individual bands and for the total valence charge. Fractional amounts of charge inside touching spheres around each atom are calculated for different $l$ values by an angular momentum ...
Schluter, M., Martinez, G., Cohen, Marvin L.   +2 more
openaire   +2 more sources

Atomic Charges and Electron Density Partitioning [PDF]

Australian Journal of Physics, 1985
Atomic charges are derived from two dissimilar methods of partitioning the electron density of diatomic molecules. The results given by both methods are similar, with the exception of those for molecules containing lithium; factors responsible for this discrepancy are explored.
EN Maslen, MA Spackman
openaire   +1 more source

Doublonlike Excitations and Their Phononic Coupling in a Mott Charge-Density-Wave System

Physical Review X, 2021
Electron-phonon-driven charge-density waves can in some circumstances allow electronic correlations to become predominant, driving a system into a Mott insulating state.
C. J. Butler, M. Yoshida, T. Hanaguri, Y. Iwasa   +3 more
doaj   +1 more source

A Theoretical Evaluation of the Efficiencies of Metal-Free 1,3,4-Oxadiazole Dye-Sensitized Solar Cells: Insights from Electron–Hole Separation Distance Analysis

Energies, 2022
Herein, some novel metal-free 1,3,4-oxadiazole compounds O1–O7 were evaluated for their photovoltaic properties using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations to determine if they can serve as ...
Louis-Charl Cloete Coetzee, Adedapo Sunday Adeyinka, Nomampondo Magwa   +2 more
doaj   +1 more source

Bulk charge density wave and electron-phonon coupling in superconducting copper oxychlorides

Physical Review Research, 2022
Bulk charge density waves are now reported in nearly all high-temperature superconducting cuprates, with the noticeable exception of one particular family: the copper oxychlorides. Here, we used resonant inelastic x-ray scattering to reveal a bulk charge
L. Chaix, B. Lebert, H. Miao, A. Nicolaou, F. Yakhou, H. Cercellier, S. Grenier, N. B. Brookes, A. Sulpice, S. Tsutsui, A. Bosak, L. Paolasini, D. Santos-Cottin, H. Yamamoto, I. Yamada, M. Azuma, T. Nishikubo, T. Yamamoto, M. Katsumata, M. P. M. Dean, M. d'Astuto   +20 more
doaj   +1 more source

Melting Point Of Metals In Relation Io Electron Charge Density

Archives of Metallurgy and Materials, 2015
The concept of spatial criterion of the electron charge concentration is applied to determine the metal melting point. Based on the model proposed for bcc metals, a model for hcp metals and general form for others has been developed.
Boczkal G.
doaj   +1 more source