From DFT to machine learning: recent approaches to materials science–a review

GR Schleder, ACM Padilha, CM Acosta… - Journal of Physics …, 2019 - iopscience.iop.org
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Controlling spin current polarization through non-collinear antiferromagnetism

T Nan, CX Quintela, J Irwin, G Gurung, DF Shao… - Nature …, 2020 - nature.com
The interconversion of charge and spin currents via spin-Hall effect is essential for
spintronics. Energy-efficient and deterministic switching of magnetization can be achieved …

Room-temperature ferroelectric switching of spin-to-charge conversion in germanium telluride

S Varotto, L Nessi, S Cecchi, J Sławińska, P Noël… - Nature …, 2021 - nature.com
The development of spintronic devices has been limited by the poor compatibility between
semiconductors and ferromagnetic sources of spin. The broken inversion symmetry of some …

Disentangling orbital and valley Hall effects in bilayers of transition metal dichalcogenides

TP Cysne, M Costa, LM Canonico, MB Nardelli… - Physical review …, 2021 - APS
It has been recently shown that monolayers of transition metal dichalcogenides (TMDs) in
the 2H structural phase exhibit relatively large orbital Hall conductivity plateaus within their …

High-Spin (S = 1) Blatter-Based Diradical with Robust Stability and Electrical Conductivity

S Zhang, M Pink, T Junghoefer, W Zhao… - Journal of the …, 2022 - ACS Publications
Triplet ground-state organic molecules are of interest with respect to several emerging
technologies but usually show limited stability, especially as thin films. We report an organic …

Advances in data‐assisted high‐throughput computations for material design

D Xu, Q Zhang, X Huo, Y Wang… - Materials Genome …, 2023 - Wiley Online Library
Extensive trial and error in the variable space is the main cause of low efficiency and high
cost in material development. The experimental tasks can be reduced significantly in the …

Connecting higher-order topology with the orbital hall effect in monolayers of transition metal dichalcogenides

M Costa, B Focassio, LM Canonico, TP Cysne… - Physical Review Letters, 2023 - APS
Monolayers of transition metal dichalcogenides (TMDs) in the 2 H structural phase have
been recently classified as higher-order topological insulators (HOTIs), protected by C 3 …

Unconventional spin Hall effects in nonmagnetic solids

A Roy, MHD Guimarães, J Sławińska - Physical Review Materials, 2022 - APS
Direct and inverse spin Hall effects lie at the heart of novel applications that utilize spins of
electrons as information carriers, allowing the generation of spin currents and detecting …

Anomalous Hall conductivity of noncollinear magnetic antiperovskites

G Gurung, DF Shao, TR Paudel, EY Tsymbal - Physical Review Materials, 2019 - APS
The anomalous Hall effect (AHE) is a well-known fundamental property of ferromagnetic
metals, commonly associated with the presence of a net magnetization. Recently, an AHE …

Toward realistic amorphous topological insulators

M Costa, GR Schleder, M Buongiorno Nardelli… - Nano …, 2019 - ACS Publications
The topological properties of materials are, until now, associated with the features of their
crystalline structure, although translational symmetry is not an explicit requirement of the …