193 citations · 237 across the 5 of their papers we have counts for
10 papers
Small Polaron Formation on the Nb-doped SrTiO(001) Surface
Florian Ellinger, Muhammad Shafiq, Iftikhar Ahmad +2
The cubic perovsike strontium titanate SrTiO (STO) is one of the most studied, polarizable transition metal oxides. When excess charge is introduced to this material, e.g., thr…
Role of Polarons in Single-Atom Catalysts: Case Study of Me1 [Au1, Pt1, and Rh1] on TiO2(110)
Panukorn Sombut, Lena Puntscher, Marlene Atzmueller +5
The local environment of metal-oxide supported single-atom catalysts plays a decisive role in the surface reactivity and related catalytic properties. The study of such systems is…
Electronic state unfolding for plane waves: energy bands, Fermi surfaces and spectral functions
David Dirnberger, Georg Kresse, Cesare Franchini +1
Modern computing facilities grant access to first-principles density-functional theory study of complex physical and chemical phenomena in materials, that require large supercell t…
CuAu, a hexagonal two-dimensional metal
Georg Zagler, Michele Reticcioli, Clemens Mangler +3
Growth of two-dimensional metals has eluded materials scientists since the discovery of the atomically thin graphene and other covalently bound 2D materials. Here, we report a two-…
Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCdAs
J. -Z. Ma, S. M. Nie, C. J. Yi +22
Weyl fermions as emergent quasiparticles can arise in Weyl semimetals (WSMs) in which the energy bands are nondegenerate, resulting from inversion or time-reversal symmetry breakin…
Small Polarons in Transition Metal Oxides
Michele Reticcioli, Ulrike Diebold, Georg Kresse +1
The formation of polarons is a pervasive phenomenon in transition metal oxide compounds, with a strong impact on the physical properties and functionalities of the hosting material…