Browsing Brage NMBU by Author "Berland, Kristian"
Now showing items 1-12 of 12
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2 van der Waals density functional with corrected C6 coefficients
Berland, Kristian; Chakraborty, Debajit; Thonhauser, T (Journal article; Peer reviewed, 2019) -
Attaining Low Lattice Thermal Conductivity in Half-Heusler Sublattice Solid Solutions: Which Substitution Site Is Most Effective?
Tranås, Rasmus André; Løvvik, Ole Martin; Berland, Kristian (Peer reviewed; Journal article, 2022)Low thermal conductivity is an important materials property for thermoelectricity. The lattice thermal conductivity (LTC) can be reduced by introducing sublattice disorder through partial isovalent substitution. Yet, ... -
Computational discovery and design of organic molecular ferroelectrics
Seyedraoufi, Seyedmojtaba (PhD Thesis;2024:12, Doctoral thesis, 2024)In the early stages, discovered ferroelectrics were unsuitable for industrial applications, but following the discovery of ceramic ferroelectrics, they gained widespread usage in capacitors, actuators, and piezoelectric ... -
Discarded gems: Thermoelectric performance of materials with band gap emerging at the hybrid-functional level
Berland, Kristian; Løvvik, Ole Martin; Tranås, Rasmus André (Peer reviewed; Journal article, 2021)A finite electronic band gap is a standard filter in high-throughput screening of materials using density functional theory (DFT). However, because of the systematic underestimation of band gaps in standard DFT approximations, ... -
Ferroelectric Crystals of Globular Molecules: Cambridge Structural Database Mining and Computational Assessment
Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Gørbitz, Carl Henrik; Berland, Kristian (Peer reviewed; Journal article, 2023) -
Lattice thermal conductivity of half-Heuslers with density functional theory and machine learning: Enhancing predictivity by active sampling with principal component analysis
Tranås, Rasmus André; Løvvik, Ole Martin; Tomic, Oliver; Berland, Kristian (Peer reviewed; Journal article, 2021)Low lattice thermal conductivity is essential for high thermoelectric performance of a material. Lattice thermal conductivity is often computed using density functional theory (DFT), typically at a high computational cost. ... -
Long- and short-range structures of Ti1-xHfxNi1.0/1.1Sn half-Heusler compounds and their electric transport properties
Guzik, Matylda N.; Schrade, Matthias; Tofan, Raluca; Almeida Carvalho, Patricia; Berland, Kristian; Sørby, Magnus Helgerud; Persson, Clas; Gunnæs, Anette Eleonora; Hauback, Bjørn (Journal article; Peer reviewed, 2019) -
Perspectives on weak interactions in complex materials at different length scales
Fiedler, Johannes; Berland, Kristian; Borchert, James; Corkery, Robert; Eisfeld, Alexander; Gelbwaser-Klimovsky, David; Greve, Martin Møller; Holst, Bodil; Jacobs, Karin; Kruger, Matthias; Parsons, Drew F.; Persson, Clas; persselt, martin; Reisinger, Thomas; Scheel, Stefan; Stienkemeier, Frank; Tømterud, Martin; Walter, Michael; Weitz, Ralf Thomas; Zalieckas, Justas (Peer reviewed; Journal article, 2022) -
Purcell-induced suppression of superradiance for molecular overlayers on noble atom surfaces
Fiedler, Johannes; Berland, Kristian; Buhmann, Stefan Yoshi (Peer reviewed; Journal article, 2022)We study the impact of an environment on the electromagnetic responses of a molecule in the presence of a dielectric medium. By applying the dipole–dipole coupling between the molecule’s and the environment’s degrees of ... -
Reduced-gradient analysis of van der Waals complexes
Jenkins, Trevor; Berland, Kristian; Thonhauser, T. (Journal article; Peer reviewed, 2021) -
Screening of thermoelectric performance of half-Heusler materials and their alloys from first principles
Grimenes, Øven Andreas (Master thesis, 2021)Thermoelectric (TE) generators have seen a lot of renewed interest over the last years. Along with increasing computational power, the approach in the search for new TE materials has seen a shift to first principle ... -
Shallow Impurity Band in ZrNiSn
Schrade, Matthias; Berland, Kristian; Kosinskiy, Andrey; Heremans, Joseph P.; Finstad, Terje (Peer reviewed; Journal article, 2020)ABSTRACT ZrNiSn and related half Heusler compounds are candidate materials for efficient thermoelectric energy conversion with a reported thermoelectric figure-of-merit of n-type ZrNiSn exceeding unity. Progress on p-type ...