Journal
PHYSICAL REVIEW B
Volume 77, Issue 9, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.77.094110
Keywords
-
Ask authors/readers for more resources
The high- pressure ( HP ) structural properties of Li2O are examined theoretically using first- principles calculations ( density- functional theory ). The calculated results for the HP anticotunnite modification are compared to recent experimental studies. Our main focus is on the hexagonal Ni-2 In-type modification, which is a likely candidate for a HP phase of Li2O at pressures above 100 GPa. The structural aspects of a pressure- induced phase transition from anticotunnite to Ni2In are characterized in detail; the existence of precursor phenomena is pointed out.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available