The 2021 room-temperature superconductivity roadmap
Designing materials with advanced functionalities is the main focus of contemporary solid-
state physics and chemistry. Research efforts worldwide are funneled into a few high-end …
state physics and chemistry. Research efforts worldwide are funneled into a few high-end …
Thermoelectrics: From history, a window to the future
Thermoelectricity offers a sustainable path to recover and convert waste heat into readily
available electric energy, and has been studied for more than two centuries. From the …
available electric energy, and has been studied for more than two centuries. From the …
Quantum ESPRESSO toward the exascale
Q uantum ESPRESSO is an open-source distribution of computer codes for quantum-
mechanical materials modeling, based on density-functional theory, pseudopotentials, and …
mechanical materials modeling, based on density-functional theory, pseudopotentials, and …
Design principles for high-temperature superconductors with a hydrogen-based alloy backbone at moderate pressure
Z Zhang, T Cui, MJ Hutcheon, AM Shipley, H Song… - Physical Review Letters, 2022 - APS
Hydrogen-based superconductors provide a route to the long-sought goal of room-
temperature superconductivity, but the high pressures required to metallize these materials …
temperature superconductivity, but the high pressures required to metallize these materials …
Wannier90 as a community code: new features and applications
W annier90 is an open-source computer program for calculating maximally-localised
Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used …
Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used …
Efficient calculation of carrier scattering rates from first principles
The electronic transport behaviour of materials determines their suitability for technological
applications. We develop a computationally efficient method for calculating carrier scattering …
applications. We develop a computationally efficient method for calculating carrier scattering …
Pentagon-based 2D materials: Classification, properties and applications
Y Shen, Q Wang - Physics Reports, 2022 - Elsevier
Abstract Since penta-graphene (PG), a two-dimensional (2D) carbon allotrope exclusively
composed of five-membered rings, was proposed in 2015, a great deal of effort has been …
composed of five-membered rings, was proposed in 2015, a great deal of effort has been …
Two-dimensional semiconductors with high intrinsic carrier mobility at room temperature
Two-dimensional semiconductors have demonstrated great potential for next-generation
electronics and optoelectronics, however, the current 2D semiconductors suffer from …
electronics and optoelectronics, however, the current 2D semiconductors suffer from …
Electron–phonon physics from first principles using the EPW code
EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …
and related materials properties. The code combines density functional perturbation theory …
Unusual high thermal conductivity in boron arsenide bulk crystals
Conventional theory predicts that ultrahigh lattice thermal conductivity can only occur in
crystals composed of strongly bonded light elements, and that it is limited by anharmonic …
crystals composed of strongly bonded light elements, and that it is limited by anharmonic …