66 citations · 193 across the 8 of their papers we have counts for
8 papers
Decagonal Sn clathrate on -Al-Ni-Co
Vipin Kumar Singh, Eva Pospisilova, Marek Mihalkovič +8
Decagonal quasiperiodic ordering of Sn thin film on -Al-Ni-Co, is shown based on scanning tunneling microscopy (STM), low-energy electron diffraction and density functional theo…
Electronic structure beyond the generalized gradient approximation for NiMnGa
D. R. Baigutlin, V. V. Sokolovskiy, O. N. Miroshkina +8
The stability of the nonmodulated martensitic phase, the austenitic Fermi surface and the phonon dispersion relations for ferromagnetic NiMnGa are studied using density functio…
Topological Dirac Semimetal Phase in Bismuth Based Anode Materials for Sodium-Ion Batteries
Wei-Chi Chiu, Bahadur Singh, Sougata Mardanya +7
Bismuth has recently attracted interest in connection with Na-ion battery anodes due to its high volumetric capacity. It reacts with Na to form NaBi which is a prototypical Dir…
Ab initio description of the BiSrCaCuO electronic structure
J. Nokelainen, C. Lane, R. S. Markiewicz +6
Bi-based cuprate superconductors are important materials for both fundamental research and applications. As in other cuprates, the superconducting phase in the Bi compounds lies cl…
Correlation in noncollinear antiferromagnetic -Mn
Aki Pulkkinen, Bernardo Barbiellini, Johannes Nokelainen +10
We have investigated the interplay between magnetic and structural degrees of freedom in elemental Mn. The equilibrium volume is shown to depend critically on the magnetic interact…
Gate-tunable magnetism of C adatoms on graphene
J. Nokelainen, I. V. Rozhansky, B. Barbiellini +2
We have performed density functional theory calculations of graphene decorated with carbon adatoms, which bind at the bridge site of a C--C bond. Earlier studies have shown that th…
Quasiperiodic ordering in thick Sn layer on -Al-Pd-Mn: A possible quasicrystalline clathrate
Vipin Kumar Singh, Marek Mihalkovic, Marian Krajčí +9
Realization of an elemental solid-state quasicrystal has remained a distant dream so far in spite of extensive work in this direction for almost two decades. Here, we report the di…
The Structure and Local Variations of the Graphene Moiré on Ir(111)
Sampsa K. Hämäläinen, Mark P. Boneschanscher, Peter H. Jacobse +6
We have studied the incommensurate moiré structure of epitaxial graphene grown on iridium(111) by dynamic low energy electron diffraction [LEED-I(V)] and non-contact atomic force m…