Results 251 to 260 of about 878,894 (294)

Electronic charge density of V3Si

Solid State Communications, 1981
Abstract The electronic charge density of V 3 Si has been calculated using a self-consistent version of the linear-augmented-plane-wave (LAPW) method. The results exhibit a substantially nonspherical charge distribution at and beyond the V 3 d -shell maximum, directional-bonding along the V -atom chains, and a net charge transfer from Si to
L.F. Mattheiss, D.R. Hamann
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Transformation from metallic electron charge density to electron momentum density

Journal of Physics: Condensed Matter, 1989
There is no direct and exact relation between the electron charge density, rho (r), and electron momentum density, gamma (p). Two approximate methods for transforming from rho (r) to gamma (p) developed in the literature are briefly outlined, and these two methods are applied to metallic Al, V, and Cu.
R M Singru, R R Mishra
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Electron-phonon interaction in charge-density-wave superconductors

Physical Review B, 1985
Using a canonical transformation we derive an effective electron-phonon interaction for a system undergoing a lattice distortion followed by a superconducting (SC) transition. The relevance of this interaction in interpreting the Raman scattering observation of the SC gap mode in layered charge-density-wave and A15-compound superconductors is discussed.
, Behera, , Mishra
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Iterative Atomic Charge Partitioning of Valence Electron Density

Journal of Computational Chemistry, 2019
We propose an atomic charge partitioning scheme, iterative adjusted charge partitioning (I‐ACP), belonging to the stockholder family and based on partitioning of the valence molecular electron density. The method uses a Slater‐type weighting factor cAr2n–2exp(–αAr), where αA is a fixed parameter and cA is determined iteratively.
Sergei F. Vyboishchikov, Alexander A. Voityuk   +1 more
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Charge density waves in strongly correlated electron systems

Reports on Progress in Physics, 2016
Strong electron correlations are at the heart of many physical phenomena of current interest to the condensed matter community. Here we present a survey of the mechanisms underlying such correlations in charge density wave (CDW) systems, including the current theoretical understanding and experimental evidence for CDW transitions.
Chih-Wei, Chen, Jesse, Choe, E, Morosan
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Electron Tunneling in Charge-Density and Spin-Density Waves

MRS Proceedings, 1989
ABSTRACTFirst we calculate the tunneling density of states of quasi-two dimensional charge density waves (CDW) or spin density waves (SDW) in the presence of impurity scattering. Second, we consider the tunneling current between two CDWs or two SDWs. We point out the existence of new contribution, which gives rise to the a.c.
X. Z. Huang, K. Maki
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Transformation from metallic electron charge density to electron momentum

Solid State Communications, 1986
Abstract Electron momentum densities (EMD) in Al, V, Cr and Cu metals have been estimated from the metallic electron charge densities by applying the procedure of Burkhardt, Konya and Coulson and March. The procedure has provided spherically averaged EMD from which corresponding Compton profiles, J ( q ) and 〈 p n 〉 expectation values have been ...
R.R. Mishra, R.M. Singru
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Electron-momentum densities of singly charged ions

Physical Review A, 1999
Spherically averaged electron momentum densities $\ensuremath{\Pi}(p)$ are constructed by the numerical Hartree-Fock method for 54 singly charged atomic cations from ${\mathrm{He}}^{+}$ (atomic number $Z=2)$ to ${\mathrm{Cs}}^{+}$ $(Z=55)$ and 43 anions from ${\mathrm{H}}^{\mathrm{\ensuremath{-}}}$ $(Z=1)$ to ${\mathrm{I}}^{\mathrm{\ensuremath ...
Toshikatsu Koga, Hisashi Matsuyama, E. Romera, J. S. Dehesa, Ajit J. Thakkar   +4 more
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Electronic charge density in simple metals

Solid State Communications, 1978
Abstract The valence electron density is calculated for aluminum, magnesium, and sodium using an OPW-based pseudopotential method. The Fourier transform of the charge density is used to calculate atomic form factors which compare very well with experimental X-ray scattering form factors.
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Electronic structure for sliding charge density waves

Journal of Physics and Chemistry of Solids, 1983
Abstract We present a model for the electron system in NbSe 3 based on its quasi one-dimensional metallic properties. In a one-dimensional metal phonon drag of 2 K F -phonons takes place at temperatures higher than θ D , since the phonon-electron scattering rate τ −1 ph−el is greater than the phonon-phonon rate τ −1 ph−ph .
Meir Danino, Meir Weger
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