189 citations · 334 across the 8 of their papers we have counts for
8 papers
Phonon dispersion in two-dimensional solids from atomic probability distributions
R. Ramirez, C. P. Herrero
We propose a harmonic linear response (HLR) method to calculate the phonon dispersion relations of two-dimensional (2D) layers from equilibrium simulations at finite temperature. T…
Critical behavior in graphene: spinodal instability at room temperature
R. Ramirez, C. P. Herrero
At a critical spinodal in-plane stress a planar crystalline graphene layer becomes mechanically unstable. We present a model of the critical behavior of the membrane area n…
Elastic properties and mechanical tension of graphene
R. Ramirez, C. P. Herrero
Room temperature simulations of graphene have been performed as a function of the mechanical tension of the layer. Finite-size effects are accurately reproduced by an acoustic disp…
Path-integral simulation of solids
Carlos P. Herrero, Rafael Ramirez
The path-integral formulation of the statistical mechanics of quantum many-body systems is described, with the purpose of introducing practicaltechniques for the simulation of soli…
The phase diagram of ice: a quasi-harmonic study based on a flexible water model
R. Ramirez, N. Neuerburg, C. P. Herrero
The phase diagram of ice is studied by a quasi-harmonic approximation. The free energy of all experimentally known ice phases has been calculated with the flexible q-TIP4P/F model…
Quantum path-integral study of the phase diagram and isotope effects of neon
R. Ramirez, C. P. Herrero
The phase diagram of natural neon has been calculated for temperatures in the range 17-50 K and pressures between 0.01 and 2000 bar. The phase coexistence between solid, liquid, an…