108 citations · 866 across the 47 of their papers we have counts for
45 papers
Design of thermal hysteresis in nonstoichiometric alloys with giant magnetocaloric effect
Sagar Ghorai, Rebecca Clulow, Johan Cedervall +12
The non-stoichiometric FeP-type (FeMnPSi)(FeV) alloys ( , , and ) have been investigated as potential candidates for magnet…
Significantly Enhanced Vacancy Diffusion in Mn-containing Alloys
Huaqing Guan, Hanwen Cui, Ning Ding +12
Manipulating point defects for tailored macroscopic properties remains a formidable challenge in materials science. This study demonstrates a proof-of-principle for a universal law…
Site-specific atomic substitution in a giant magnetocaloric FeP-type system
Sagar Ghorai, Johan Cedervall, Rebecca Clulow +9
Giant magnetocaloric (GMC) materials constitute a requirement for near room temperature magnetic refrigeration. (Fe,Mn)(P,Si) is a GMC compound with strong magnetoelastic coupl…
Structural characterization and electronic structure of LiClO glasses for solid-state Li-ion batteries
Young Won Choi, Moyses Araujo, Levente Vitos +1
Energy storage technologies that can meet the unprecedented demands of a sustainable energy system based on intermittent energy sources require new battery materials. We investigat…
Predicting grain boundary energies of complex alloys from ab initio calculations
Changle Li, Song Lu, Levente Vitos
Investigating the grain boundary energies of pure fcc metals and their surface energies obtained from ab initio modeling, we introduce a robust method to estimate the grain boundar…
Data-driven design of a new class of rare-earth free permanent magnets
Alena Vishina, Daniel Hedlund, Vitalii Shtender +9
A new class of rare-earth-free permanent magnets is proposed. The parent compound of this class is CoMnGe, and its discovery is the result of first principles theory combin…