activity
20192023
most citedConstrained crystals deep convolutional generative adversarial network for the inverse design of crystal structures

158 citations · 310 across the 9 of their papers we have counts for

collaborators

10 papers

cond-mat.mtrl-sci2023

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…

cond-mat.mtrl-sci2022

High-throughput screening of Half-antiperovskites with a stacked kagome lattice

Harish K. Singh, Amit Sehrawat, Chen Shen +4

Half-antiperovskites (HAPs) are a class of materials consisting of stacked kagome lattices and thus host exotic magnetic and electronic states. We perform high-throughput calculati…

cond-mat.mtrl-sci2022★ 8 cited

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…

cond-mat.mtrl-sci2022

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…

cond-mat.mtrl-sci2021

Giant anomalous Hall and anomalous Nernst Conductivities in Antiperovskites and their Tunability via Magnetic Fields

Harish K. Singh, Ilias Samathrakis, Chen Shen +1

The anomalous Hall conductivity (AHC) and anomalous Nernst conductivity (ANC) are two prominent transport phenomena in ferromagnetic materials of a topological nature. Based on fir…

cond-mat.mtrl-sci2021

Enhanced anomalous Nernst effects in ferromagnetic materials driven by Weyl nodes

Ilias Samathrakis, Teng Long, Zeying Zhang +2

Based on high-throughput first-principles calculations, we evaluated the anomalous Hall and anomalous Nernst conductivities of 266 transition-metal-based ferromagnetic compounds. D…

cond-mat.mtrl-sci2020★ 42 cited

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…

physics.comp-ph2020★ 158 cited

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…

cond-mat.mtrl-sci2019★ 28 cited

Piezospintronic effect in antiperovskite MnGaN

Ilias Samathrakis, Hongbin Zhang

Based on first-principles calculations, we investigated the topological transport properties of MnGaN with coplanar noncollinear magnetic structures. The intrinsic anomalous Ha…

cond-mat.str-el2019★ 74 cited

The anomalous Hall effect in non-collinear antiferromagnetic MnNiN thin films

David Boldrin, Ilias Samathrakis, Jan Zemen +7

We have studied the anomalous Hall effect (AHE) in strained thin films of the frustrated antiferromagnet MnNiN. The AHE does not follow the conventional relationships with ma…