Tests of a density-based local pseudopotential for sixteen simple metals

L Pollack, JP Perdew, J He, M Marques, F Nogueira… - Physical Review B, 1997 - APS
A comprehensive study of the lattice dynamics, elastic moduli, and liquid metal resistivities
for 16 simple metals in the bcc and fcc crystal structures is made using a density-based local …

Ab initio calculation of the elastic constants of magnesium

LF Magana, GJ Vázquez - Journal of Physics: Condensed Matter, 1995 - iopscience.iop.org
We have used a local, first principles pseudopotential to calculate the elastic constants of
magnesium. Our results are in good agreement with experiment. The pseudopotential is …

The lattice specific heat and elastic constants of sodium and potassium from first principles

LF Magana, GJ Vazquez - Journal of Physics: Condensed Matter, 1990 - iopscience.iop.org
The authors have calculated the constant volume lattice specific heat and the elastic
constants of sodium and potassium using local, first-principles pseudopotentials. This kind of …

Calculation of structural pressure-induced phase transitions for magnesium using a local, first principles pseudopotential

GR Chavarría - Physics Letters A, 2005 - Elsevier
A first principles, local pseudopotential is constructed from electronic densities which are
calculated using the Hohenberg, Kohn and Sham formalism. With this pseudopotential the …

A first principles pseudopotential in the calculation of the phonon limited resistivity of sodium and potassium

EA Mendoza, GJ Vázquez… - Journal de …, 1989 - jphys.journaldephysique.org
We have calculated the constant volume and the constant pressure phonon limited resistivity
of sodium and potassium using a local, first principles pseudopotential. This kind of …

Acoustic waves and phonon focus in Li crystal: the first principle study

H Fu, L Yao, Z Hou, J Fu, Y Ma - The European Physical Journal B, 2014 - Springer
The acoustic waves in Li are investigated by solving the Christoffel equations. Theoretical
calculations of the three dimensional slowness surfaces give insights into the mixing of …

Exchange–correlation corrections to lattice dynamics of simple metals, and a search for soft modes at normal and expanded volume

L Pollack, JP Perdew - International journal of quantum …, 1998 - Wiley Online Library
Using a density‐based local pseudopotential, we study the effect of local field or exchange–
correlation corrections on lattice dynamics for several simple metals (the alkalis, aluminum …

Phonon-limited resistivity of aluminium using a first-principles pseudopotential

GJ Vázquez, LF Magaña - Journal of Physics: Condensed Matter, 1990 - iopscience.iop.org
The phonon-limited resistivity of aluminium has been calculated using a local, first-principles
pseudopotential which has been useful in the calculation of other properties of aluminium …

Critical temperature of superconducting FCC and HCP metallic hydrogen

JS Arellano, LF Magaña - Revista Mexicana de Física, 1989 - rmf.smf.mx
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fwm first principies.\\'e ohtaill" J dll'interionic potential. lh (, phOIlOll dispersiotl cun'es, the …

Lattice specific heat and elastic constants of hcp sodium

GJ Vázquez, LF Magaña - Physics Letters A, 1990 - Elsevier
Sodium undergoes a martensitic transformation passing from a bcc structure to an hcp
structure, below 35 K. Using a first principles pseudopotential, we calculated the constant …