activity
20172023
most citedThe hiphive package for the extraction of high-order force constants by machine learning

477 citations · 811 across the 11 of their papers we have counts for

collaborators

11 papers

cond-mat.mtrl-sci2023

Reflective, polarizing, and magnetically soft amorphous Fe/Si multilayer neutron optics with isotope-enriched 11B4C inducing atomically flat interfaces

A. Zubayer, N. Ghafoor, K. A. Thórarinsdóttir +11

The utilization of polarized neutrons is of great importance in scientific disciplines spanning materials science, physics, biology, and chemistry. Polarization analysis offers ins…

cond-mat.mtrl-sci2023★ 8 cited

Morphology of buried interfaces in ion-assisted magnetron sputter deposited 11B4C-containing Ni/Ti multilayer neutron optics investigated by grazing incidence small angle scattering

Sjoerd Broekhuijsen, Naureen Ghafoor, Matthias Schwartzkopf +3

Multilayer neutron optics require precise control of interface morphology for optimal performance. In this work, we investigate the effects of different growth conditions on the in…

cond-mat.mtrl-sci2023★ 49 cited

Tuning the lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering

Fredrik Eriksson, Erik Fransson, Christopher Linderälv +2

It has recently been demonstrated that MoS2 with irregular interlayer rotations can achieve an extreme anisotropy in the lattice thermal conductivity (LTC), which is for example of…

cond-mat.mtrl-sci2022★ 53 cited

Limits of the phonon quasi-particle picture at the cubic-to-tetragonal phase transition in halide perovskites

Erik Fransson, Petter Rosander, Fredrik Eriksson +3

The soft modes associated with continuous-order phase transitions are associated with strong anharmonicity. This leads to the overdamped limit where the phonon quasi-particle pictu…

cond-mat.mtrl-sci2019★ 10 cited

Reactive magnetron sputtering of tungsten target in krypton/trimethylboron atmosphere

Martin Magnuson, Lina Tengdelius, Fredrik Eriksson +5

W-B-C films were deposited on Si(100) substrates held at elevated temperature by reactive sputtering from a W target in Kr/trimethylboron (TMB) plasmas. Quantitative analysis by X-…

cond-mat.mtrl-sci2019★ 59 cited

Efficient construction of linear models in materials modeling and applications to force constant expansions

Erik Fransson, Fredrik Eriksson, Paul Erhart

Linear models, such as force constant (FC) and cluster expansions, play a key role in physics and materials science. While they can in principle be parametrized using regression an…

cond-mat.mtrl-sci2019★ 13 cited

Compositional dependence of epitaxial Tin+1SiCn MAX-phase thin films grown from a Ti3SiC2 compound target

Martin Magnusona, Lina Tengdelius, Grzegorz Greczynski +7

We investigate sputtering of a Ti3SiC2 compound target at temperatures ranging from RT (no applied external heating) to 970 oC as well as the influence of the sputtering power at 8…

cond-mat.mtrl-sci2018★ 107 cited

Electronic Structure of Beta-Ta Films from X-ray Photoelectron Spectroscopy and First-principles Calculations

Martin Magnuson, Grzegorz Greczynski, Fredrik Eriksson +2

The electronic structure and chemical bonding of Beta-Ta synthesized as a thin 001-oriented film (space group P421m) is investigated by 4f core level and valence band X-ray photoel…

cond-mat.mtrl-sci2018★ 477 cited

The hiphive package for the extraction of high-order force constants by machine learning

Fredrik Eriksson, Erik Fransson, Paul Erhart

The efficient extraction of force constants (FCs) is crucial for the analysis of many thermodynamic materials properties. Approaches based on the systematic enumeration of finite d…

cond-mat.mtrl-sci2018★ 15 cited

Thermal conductivity in intermetallic clathrates: A first principles perspective

Daniel O. Lindroth, Joakim Brorsson, Erik Fransson +3

Inorganic clathrates such as BaGaGe and BaAlSi commonly exhibit very low thermal conductivities. A quantitative computational description of t…

cond-mat.mtrl-sci2017★ 20 cited

Bonding Structures of ZrHx Thin Films by X-ray Spectroscopy

Martin Magnuson, Fredrik Eriksson, Lars Hultman +1

The variation in local atomic structure and chemical bonding of ZrHx (x=0.15, 0.30, 1.16) magnetron sputtered thin films are investigated by Zr K-edge (1s) X-ray absorption near-ed…