Electronic properties and materials articles from across Nature Portfolio

Featured

News & Views | 15 May 2023

Band build-up
- David Abergel
Nature Physics 19, 621

Latest Research and Reviews

Research
01 June 2023 | Open Access

Transport measurement of fractional charges in topological models
- Shu-guang Cheng
- , Yijia Wu
- & X. C. Xie
npj Quantum Materials 8, 30
Research | 01 June 2023

Ab initio real-time quantum dynamics of charge carriers in momentum space

This study presents an ab initio approach for the real-time charge carrier quantum dynamics in the momentum space, which is computationally more efficient than conventional real-space non-adiabatic molecular dynamics method. The method is applied to study hot carrier dynamics in graphene, which provides insights about the phonon-specific relaxation mechanism.
- Zhenfa Zheng
- , Yongliang Shi
- & Jin Zhao
Nature Computational Science, 1-10
Research | 01 June 2023

Dipole ladders with large Hubbard interaction in a moiré exciton lattice

Strong dipole–dipole interactions between excitons in a moiré superlattice create a manifestation of the Bose–Hubbard model with a ground state similar to a Mott insulator.
- Heonjoon Park
- , Jiayi Zhu
- & Xiaodong Xu
Nature Physics, 1-7
Research
31 May 2023 | Open Access

Curvature-controlled band alignment transition in 1D van der Waals heterostructures
- Shu Zhao
- , Chunxia Yang
- & Wenbin Li
npj Computational Materials 9, 92
Research
31 May 2023 | Open Access

Bismuth sulfoiodide (BiSI) nanorods: synthesis, characterization, and photodetector application
- Krystian Mistewicz
- , Tushar Kanti Das
- & Olha Masiuchok
Scientific Reports 13, 8800
Research
31 May 2023 | Open Access

Fundamentals of low-resistive 2D-semiconductor metal contacts: an ab-initio NEGF study
- Rutger Duflou
- , Geoffrey Pourtois
- & Aryan Afzalian
npj 2D Materials and Applications 7, 38

All Research & Reviews

News and Comment

News & Views | 15 May 2023

Band build-up
- David Abergel
Nature Physics 19, 621
News & Views | 03 May 2023

High-temperature superconductivity survives

In heavily hole-doped cuprates, superconductivity does not die by simply dissolving into a uniform metal due to the lack of pairing, but rather survives by shattering into nanoscale superconducting puddles.
- Yu He
Nature Materials 22, 671-672
Editorial | 26 April 2023

Computationally probing moiré magnets

We highlight two primary research papers, published in this issue of Nature Computational Science, on computational methods for moiré magnets.

Nature Computational Science 3, 277-278
News & Views | 26 April 2023

The devil is in the defects

Calculations support experiments in predicting the existence and properties of point defects in solids but often do not correctly capture their details. A different method can significantly improve the prediction of defect structures and properties.
- Arun Mannodi-Kanakkithodi
Nature Physics, 1-2
News & Views | 26 April 2023

A deep-learning method for studying magnetic superstructures

A rotational and time-reversal equivariant neural network designed to represent the spin–orbital density functional theory Hamiltonian as a function of the atomic and magnetic structure enables ab initio electronic-structure calculations of magnetic superstructures. These calculations can efficiently and accurately predict subtle magnetic effects in various chemical environments.

Nature Computational Science 3, 287-288
News & Views | 05 April 2023

Mesoscopic Schwinger effect

The production of particle–antiparticle pairs in a vacuum — the Schwinger effect — requires extreme conditions that are out of reach of tabletop experiments. A mesoscopic simulation of this phenomenon has now been carried out in graphene devices.
- Roshan Krishna Kumar
Nature Physics, 1-2