Semimetallic dense hydrogen above 260 GPa.
Being the lightest and the most abundant element in the universe, hydrogen is fascinating to physicists. In particular, the conditions of its metallization associated with a possible superconducting state at high temperature have been a matter of much debate in the scientific community, and progress in this field is strongly correlated with the advancements in theoretical methods and experimental techniques. Recently, the existence of hydrogen in a metallic state was reported experimentally at room temperature under a pressure of 260-270 GPa, but was shortly after that disputed in the light of more experiments, finding either a semimetal or a transition to an other phase. With the aim to reconcile the different interpretations proposed, we propose by combining several computational techniques, such as density functional theory and the GW approximation, that phase III at ambient temperature of hydrogen is the Cmca-12 phase, which becomes a semimetal at 260 GPa . From phonon calculations, we demonstrate it to be dynamically stable; calculated electron-phonon coupling is rather weak and therefore this phase is not expected to be a high-temperature superconductor.
Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (UMR 7036), Institut Jean Barriol, Nancy Université, BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy, France.
Sébastien
S
Lebègue
Carlos Moyses
CM
Araujo
Duck Young
DY
Kim
Muhammad
M
Ramzan
Ho-kwang
HK
Mao
Rajeev
R
Ahuja