197 citations · 817 across the 17 of their papers we have counts for
17 papers
Vacancy-induced pseudo-gap formation in antiferromagnetic CrZnSb
Michael Parzer, Fabian Garmroudi, Herwig Michor +7
Structural defects are important for both solid-state chemistry and physics, as they can have a significant impact on chemical stability and physical properties. Here, we identify…
Impact of lattice dynamics on the phase stability of metamagnetic FeRh: Bulk and thin films
Michael Wolloch, Markus E. Gruner, Werner Keune +20
We present phonon dispersions, element-resolved vibrational density of states (VDOS) and corresponding thermodynamic properties obtained by a combination of density functional theo…
Electronic thermal conductivity as derived by density functional theory
M. X. Chen, R. Podloucky
Reliable evaluation of the lattice thermal conductivity is of importance for optimizing the figure-of-merit of thermoelectric materials. Traditionally, when deriving the phonon med…
Density functional theory study of phase stability, vibrational and electronic properties of
D. Reith, C. Blaas-Schenner, R. Podloucky
Based on density functional theory the noncentrosymmetric superconductor Mo_3Al_2C in its well established β-Mn type () crystal structure is investigated. In particular,…
Optimizing thermoelectric properties of filled MPtGeSb skutterudites by band engineering
M. X. Chen, R. Podloucky, S. Humer +2
On the basis of density functional theory (DFT) calculations thermoelectric properties are derived for Sb-doped skutterudites MPtGeSb with M=Ba,La,Th. It is predic…
Strain and structure driven complex magnetic ordering of a CoO overlayer on Ir(100)
F. Mittendorfer, M. Weinert, R. Podloucky +1
We have investigated the magnetic ordering in the ultrathin c(102) CoO(111) film supported on Ir(100) on the basis of ab-initio calculations. We find a close relationship b…