63 citations · 131 across the 4 of their papers we have counts for
5 papers
Path-integral molecular dynamics simulation of 3C-SiC
Rafael Ramirez, Carlos P. Herrero, Eduardo R. Hernandez +1
Molecular dynamics simulations of 3C-SiC have been performed as a function of pressure and temperature. These simulations treat both electrons and atomic nuclei by quantum mechanic…
Hydrogen and muonium in diamond: A path-integral molecular dynamics simulation
Carlos P. Herrero, Rafael Ramirez, Eduardo R. Hernandez
Isolated hydrogen, deuterium, and muonium in diamond have been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of t…
A path-integral molecular dynamics simulation of diamond
Rafael Ramirez, Carlos P. Herrero, Eduardo R. Hernandez
Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and tot…
On the nature of the melting line of bcc sodium
Eduardo R. Hernandez, Jorge Iniguez
Recent experiments have obtained the melting line of sodium up to pressures of about 130 GPa, finding that the melting line from the {\em bcc} phase reaches a maximum at a temperat…
Vibrational properties of single-wall nanotubes and monolayers of hexagonal BN
Daniel Sanchez-Portal, Eduardo Hernandez
We report a detailed study of the vibrational properties of BN single-walled nanotubes and of the BN monolayer. Our results have been obtained from a well-established Tight-Binding…