21 citations · 35 across the 12 of their papers we have counts for
5 papers · 1 filter
How orbitals and oxidation states determine apparent topographies in scanning tunneling microscopy: the case of fluorine on silver surfaces
Adrián Gómez Pueyo, Jazmín Aragón Sánchez, Ilya Degtev +11
We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the…
Controlling Orbital Ordering of Intergrowth Structures with Flat [Ag(II)F2] Layers to Mimic Oxocuprates(II)
Daniel Jezierski, Jose Lorenzana, Wojciech Grochala
Based on the Density Functional Theory calculations, we propose a new pathway toward compounds featuring flat [AgF2] layers which mimic [CuO2] layers in high-temperature oxocuprate…
The initial stages of silver fluorination: a scanning tunneling microscopy investigation
Jazmín Aragón Sánchez, Antonio Caporale, Ilya Degtev +7
We use low-temperature scanning tunneling microscopy (LT-STM) to characterize the early stages of silver fluorination. On Ag(100), we observe only one adsorbate species, which show…
Ternary nickel hydrides: a new platform for unconventional superconductivity and quantum magnetism
Mateusz Domanski, Antonio Santacesaria, Paolo Barone +2
In this letter, we propose ternary nickel hydrides MNiH2 (M = Li, Na) as new materials that mimic cuprate physics but have important differences and interesting properties. Ni-H ba…
Rearrangement of orbitals in KAgF3 due to Kugel-Khomskii mechanism: a Neutron diffraction and Density Functional Theory study
Kacper Koteras, Sebastian Biesenkamp, Paolo Barone +6
The crystal structure of KAgF3 was studied by powder neutron diffraction. KAgF3 exhibits at all temperatures an orthorhombic symmetry in space group Pnma that allows for several di…