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20102023
most citedThe hiphive package for the extraction of high-order force constants by machine learning

477 citations · 4.6k across the 66 of their papers we have counts for

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Showing 2018Show all

6 papers · 1 filter

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.mes-hall2018★ 80 cited

Impact of strain on the excitonic linewidth in transition metal dichalcogenides

Zahra Khatibi, Maja Feierabend, Malte Selig +4

Monolayer transition metal dichalcogenides (TMDs) are known to be highly sensitive to externally applied tensile or compressive strain. In particular, strain can be exploited as a…

cond-mat.mtrl-sci2018★ 14 cited

Electric field-controlled reversible order-disorder switching of a metal tip surface

Ludvig de Knoop, Mikael Juhani Kuisma, Joakim Löfgren +5

While it is well established that elevated temperatures can induce surface roughening of metal surfaces, the effect of a high electric field on the atomic structure at ambient temp…

cond-mat.mes-hall2018

Interlayer exciton dynamics in van der Waals heterostructures

Simon Ovesen, Samuel Brem, Christopher Linderälv +4

Exciton binding energies of hundreds of meV and strong light absorption in the optical frequency range make transition metal dichalcogenides (TMDs) promising for novel optoelectron…

cond-mat.mes-hall2018

Resistivity Anomaly in Weyl Semimetal candidate Molybdenum Telluride

Dhavala Suri, Christopher Linderalv, Bogdan Karpiak +8

The Weyl semi-metal candidate MoTe is expected to exhibit a range of exotic electronic transport properties. It exhibits a structural phase transition near room temperature t…