81 citations · 134 across the 4 of their papers we have counts for
3 papers · 1 filter
High-pressure form of elemental boron is covalent
N. Dubrovinskaia, L. Dubrovinsky, E. Yu. Zarechnaya +6
Oganov et al report a discovery of an ionic high-pressure /hitherto unknown phase of boron/. We show that this phase has been known since 1965, and it is a covalent material.
High-pressure phase and transition phenomena in ammonia borane NH3BH3 from X-ray diffraction, Landau theory, and ab initio calculations
Yaroslav Filinchuk, Andriy H. Nevidomskyy, Dmitry Chernyshov +1
Structural evolution of a prospective hydrogen storage material, ammonia borane NH3BH3, has been studied at high pressures up to 12 GPa and at low temperatures by synchrotron powde…
Tetrahedra system Cudaca: high-temperature manifold of molecular configurations governing low-temperature properties
O. Zaharko, J. Mesot, L. A. Salguero +9
The Cudaca system composed of isolated Cu2+ S=1/2 tetrahedra with antiferromagnetic exchange should exhibit properties of a frustrated quantum spin system. ab initio density functi…