skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Finite-temperature calculations of the Compton profile of Be, Li, and Si

Abstract

Not provided.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Univ. of Washington, Seattle, WA (United States); Univ. of California, Oakland, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1535802
DOE Contract Number:  
FG03-97ER45623; SC0008580; AC02-05CH11231
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 21; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
Materials Science; Physics

Citation Formats

Klevak, E., Vila, F. D., Kas, J. J., Rehr, J. J., and Seidler, G. T. Finite-temperature calculations of the Compton profile of Be, Li, and Si. United States: N. p., 2016. Web. doi:10.1103/physrevb.94.214201.
Klevak, E., Vila, F. D., Kas, J. J., Rehr, J. J., & Seidler, G. T. Finite-temperature calculations of the Compton profile of Be, Li, and Si. United States. doi:10.1103/physrevb.94.214201.
Klevak, E., Vila, F. D., Kas, J. J., Rehr, J. J., and Seidler, G. T. Thu . "Finite-temperature calculations of the Compton profile of Be, Li, and Si". United States. doi:10.1103/physrevb.94.214201.
@article{osti_1535802,
title = {Finite-temperature calculations of the Compton profile of Be, Li, and Si},
author = {Klevak, E. and Vila, F. D. and Kas, J. J. and Rehr, J. J. and Seidler, G. T.},
abstractNote = {Not provided.},
doi = {10.1103/physrevb.94.214201},
journal = {Physical Review B},
issn = {2469-9950},
number = 21,
volume = 94,
place = {United States},
year = {2016},
month = {12}
}

Works referenced in this record:

Imaging Doped Holes in a Cuprate Superconductor with High-Resolution Compton Scattering
journal, April 2011


How the hydrogen bond in NH 4 F is revealed with Compton scattering
journal, April 2009


Correlation of hydrogen bond lengths and angles in liquid water based on Compton scattering
journal, August 2006

  • Hakala, M.; Nygård, K.; Manninen, S.
  • The Journal of Chemical Physics, Vol. 125, Issue 8
  • DOI: 10.1063/1.2273627

Charge localization in alcohol isomers studied by Compton scattering
journal, January 2009

  • Hakala, M.; Nygård, K.; Vaara, J.
  • The Journal of Chemical Physics, Vol. 130, Issue 3
  • DOI: 10.1063/1.3059421

Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-Ray Scattering
journal, February 2012


Visualizing the Mixed Bonding Properties of Liquid Boron with High-Resolution X-Ray Compton Scattering
journal, April 2015


High-momentum components and temperature dependence of the Compton profile of beryllium
journal, August 2002


Influence of lattice dynamics on electron momentum density of lithium
journal, March 2000


Linear methods in band theory
journal, October 1975


The electronic structure of some A15 compounds by semiself-consistent band calculations
journal, September 1977


Specific heat enhancements from effects of density-of-states and charge transfers
journal, May 1993


Thermal disorder versus correlation in Compton profiles from alkali metals
journal, February 1998


Investigation of temperature dependence of Compton profiles in lithium
journal, April 1999


Temperature influence on the valence Compton profiles of aluminum and lithium
journal, January 2001


On the calculation of the energy of a Bloch wave in a metal
journal, August 1947


Electron momentum densities in disordered muffin-tin alloys
journal, April 1981


Momentum density and Compton profile of the inhomogeneous interacting electronic system. I. Formalism
journal, June 1974


High-Resolution Compton Scattering Study of Li: Asphericity of the Fermi Surface and Electron Correlation Effects
journal, March 1995


Electron momentum-space densities of Li metal: A high-resolution Compton-scattering study
journal, November 1996


Effects of Electron Correlations on Compton Profiles of Li and Na in the GW Approximation
journal, August 1997

  • Kubo, Yasunori
  • Journal of the Physical Society of Japan, Vol. 66, Issue 8
  • DOI: 10.1143/JPSJ.66.2236

Comment on “Effects of Electron Correlation. . . .” by Y. K UBO , J. Phys. Soc. Jpn. 66 (1997) 2236
journal, July 1999


Electronic structure of Li with emphasis on the momentum density and the Compton profile
journal, September 2005


Full-potential LAPW calculation of electron momentum density and related properties of Li
journal, October 1999


Anharmonic Thermal Oscillations of the Electron Momentum Distribution in Lithium Fluoride
journal, September 2015


Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008


Compton Anisotropy from Wannier Functions in the Case of Ice Ih
journal, July 2000


Compton scattering and the character of the hydrogen bond in ice Ih
journal, July 2001

  • Romero, Aldo H.; Silvestrelli, Pier Luigi; Parrinello, Michele
  • The Journal of Chemical Physics, Vol. 115, Issue 1
  • DOI: 10.1063/1.1372183

Unified Approach for Molecular Dynamics and Density-Functional Theory
journal, November 1985


Ab initio theory and calculations of X-ray spectra
journal, July 2009


Inelastic scattering from core electrons: A multiple scattering approach
journal, July 2005


Real-space Green's function calculations of Compton profiles
journal, March 2012


Compton Scattering of X Rays from Bound Electrons
journal, August 1970


Real space calculation of optical constants from optical to x-ray frequencies
journal, October 2009


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994


Projector augmented-wave method
journal, December 1994


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984

  • Nosé, Shuichi
  • The Journal of Chemical Physics, Vol. 81, Issue 1
  • DOI: 10.1063/1.447334

Phonon spectrum of beryllium at 80K
journal, February 1976


Pseudopotential Calculation of Phonon Frequencies and Grüneisen Parameters for Lithium
journal, February 1969


Quantum Monte Carlo calculation of Compton profiles of solid lithium
journal, March 1999


Electron momentum density in liquid silicon
journal, September 2013