158 citations · 585 across the 14 of their papers we have counts for
15 papers
A matter of performance & criticality: a review of rare-earth-based magnetocaloric intermetallic compounds for hydrogen liquefaction
Wei Liu, Tino Gottschall, Franziska Scheibel +8
The low efficiency of conventional liquefaction technologies based on the Joule-Thomson expansion makes liquid hydrogen currently not attractive enough for large-scale energy-relat…
The role of Debye temperature in achieving large adiabatic temperature changes at cryogenic temperatures: a case study on
Wei Liu, Franziska Scheibel, Nuno Fortunato +5
The excellent magnetic entropy change () in the temperature range of 20 77 K due to the first-order phase transition makes an intriguing candidate for magneto…
Accelerated Screening of Ternary Chalcogenides for High-Performance Optoelectronic Materials
Chen Shen, Tianshu Li, Yixuan Zhang +7
Chalcogenides, which refer to chalcogen anions, have attracted considerable attention in multiple fields of applications, such as optoelectronics, thermoelectrics, transparent cont…
Giant anomalous Hall and Nernst conductivities in magnetic all- metal Heusler alloys
Md Farhan Tanzim, Nuno Fortunato, Ilias Samathrakis +4
All- Heuslers are a category of novel compounds combining versatile functionalities such as caloric responses and spintronics with enhanced mechanical properties. Despite the pr…
Designing magnetocaloric materials for hydrogen liquefaction with light rare-earth Laves phases
Wei Liu, Tino Gottschall, Franziska Scheibel +6
Magnetocaloric hydrogen liquefaction could be a "game-changer" for liquid hydrogen industry. Although heavy rare-earth-based magnetocaloric materials show strong magnetocaloric eff…
Tunable anomalous Hall and Nernst effects in MM'X compounds
Ilias Samathrakis, Nuno Fortunato, Harish K. Singh +2
Based on first-principles calculations, the anomalous Hall (AHC) and anomalous Nernst conductivities (ANC) of the XMnP (X=Ti, Zr, Hf) compounds were evaluated, and the possibility…
A study on rare-earth Laves phases for magnetocaloric liquefaction of hydrogen
Wei Liu, Eduard Bykov, Sergey Taskaev +10
We are witnessing a great transition towards a society powered by renewable energies to meet the ever-stringent climate target. Hydrogen, as an energy carrier, will play a key role…
Thermodynamical and topological properties of metastable Fe3Sn
Ilias Samathrakis, Chen Shen, Kun Hu +5
Combining experimental data, first-principles calculations, and Calphad assessment, thermodynamic and topological transport properties of the Fe-Sn system were investigated. Densit…
Inverse design of crystal structures for multicomponent systems
Teng Long, Yixuan Zhang, Nuno M. Fortunato +3
We developed an inverse design framework enabling automated generation of stable multi-component crystal structures by optimizing the formation energies in the latent space based o…
Tailoring magnetocaloric effect in all-d-metal Ni-Co-Mn-Ti Heusler alloys: a combined experimental and theoretical study
Andreas Taubel, Benedikt Beckmann, Lukas Pfeuffer +7
Novel Ni-Co-Mn-Ti all-d-metal Heusler alloys are exciting due to large multicaloric effects combined with enhanced mechanical properties. An optimized heat treatment for a series o…
Designing of Magnetic MAB Phases for Energy Applications
Chen Shen, Qiang Gao, Nuno M. Fortunato +4
Based on high-throughput density functional theory calculations, we performed screening for stable magnetic MAB compounds and predicted potential strong magnets for permanent magne…
Multifunctional Antiperovskites driven by Strong Magnetostructural Coupling
Harish K. Singh, Ilias Samathrakis, Nuno M. Fortunato +4
Based on density functional theory calculations, we elucidated the origin of multifunctional properties for cubic antiperovskites with noncollinear magnetic ground states, which ca…
Constrained crystals deep convolutional generative adversarial network for the inverse design of crystal structures
Teng Long, Nuno M. Fortunato, Ingo Opahle +5
Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput scre…
An accelerating approach of designing ferromagnetic materials via machine learning modeling of magnetic ground state and Curie temperature
T. Long, N. M. Fortunato, Yixuan Zhang +2
Magnetic materials have a plethora of applications ranging from informatics to energy harvesting and conversion. However, such functionalities are limited by the magnetic ordering…
On the nature of the (de)coupling of the magnetostructural transition in ErSi
Rui M. Costa, João H. Belo, Marcelo B. Barbosa +9
In this report, a successful thermodynamical model was employed to understand the structural transition in ErSi, able to explain the decoupling of the magnetic and structur…