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43 papers · 1 filter
Determination of the ferrimagnetic structure of monoclinic TbFeD deuteride and its evolution versus temperature and high magnetic field
Valerie Paul-Boncour, Olivier Isnard
The magnetic properties of monoclinic TbFeD have been investigated by combining different magnetic measurements, including those involving a high pulsed magnetic fiel…
Structural transitions related to order-disorder and thermal desorption of D atoms in TbFeD
V. Paul-Boncour, O. Isnard
TbFeD deuteride crystallizes in a monoclinic structure ( space group) with deuterium inserted into 13 [TbFe] and 5 [TbFe] tetrahedral interstiti…
Data-efficient machine-learning of complex Fe-Mo intermetallics using domain knowledge of chemistry and crystallography
Mariano Forti, Alesya Malakhova, Yury Lysogorskiy +5
Atomistic simulations of multi-component systems require accurate descriptions of interatomic interactions to resolve details in the energy of competing phases. A particularly chal…
Relationship between polymorphic structures and magnetic properties of LaNi compounds (' = Sm, Gd)
Valérie Paul-Boncour, Véronique Charbonnier, Nicolas Madern +3
In this study, the crystal structure and magnetic properties of LaNi compounds with magnetic rare earth elements (' = Sm, Gd) have been investigated combini…
Data-driven study of the enthalpy of mixing in the liquid phase
Guillaume Deffrennes, Bengt Hallstedt, Taichi Abe +5
The enthalpy of mixing in the liquid phase is a thermodynamic property reflecting interactions between elements that is key to predict phase transformations. Widely used models exi…
Restructuring disorder: Transformation from the antiferromagnetic order in Fe2VSi to the ferromagnetic state in FeRuVSi by substitution of a non-magnetic element
Shuvankar Gupta, Sudip Chakraborty, Celine Barreteau +4
The delicate nature of the half-metallic ferromagnetic (HMF) property in Heusler alloys is often compromised by inherent structural disorder within the systems. Fe2VSi is a prime e…