803 citations · 3.1k across the 40 of their papers we have counts for
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Lattice thermal conductivity of TiZrHfNiSn half-Heusler alloys calculated from first principles: Key role of nature of phonon modes
Simen N. H. Eliassen, Ankita Katre, Georg K. H. Madsen +3
In spite of their relatively high lattice thermal conductivity , the XNiSn (X=Ti, Zr or Hf) half-Heusler compounds are good thermoelectric materials. Previous studies hav…
The influence of Lifshitz forces and gas on premelting of ice within porous materials
M. Boström, O. I. Malyi, P. Thiyam +4
Premelting of ice within pores in earth materials is shown to depend on the presence of vapor layers. For thick vapor layers between ice and pore surfaces, a nanosized water sheet…
Enabling accurate first-principle calculations of electronic properties with a corrected k.p scheme
Kristian Berland, Clas Persson
A computationally inexpensive k.p-based interpolation scheme is developed that can extend the eigenvalues and momentum matrix elements of a sparsely sampled k-point grid into a den…
Structural and excited-state properties of oligoacene crystals from first principles
Tonatiuh Rangel, Kristian Berland, Sahar Sharifzadeh +5
Molecular crystals are a prototypical class of van der Waals (vdW) bound organic materials with excited state properties relevant for optoelectronics applications. Predicting the s…
Enhancement of thermoelectric properties by energy filtering: Theoretical potential and experimental reality in nanostructured ZnSb
Kristian Berland, Xin Song, Patricia A. Carvalho +3
Energy filtering has been suggested by many authors as a means to improve thermoelectric properties. The idea is to filter away low-energy charge carriers in order to increase Seeb…