[HTML][HTML] Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems
We present the science and technology roadmap for graphene, related two-dimensional
crystals, and hybrid systems, targeting an evolution in technology, that might lead to impacts …
crystals, and hybrid systems, targeting an evolution in technology, that might lead to impacts …
Lattice instabilities in metallic elements
Most metallic elements have a crystal structure that is either body-centered cubic (bcc), face-
centered close packed, or hexagonal close packed. If the bcc lattice is the …
centered close packed, or hexagonal close packed. If the bcc lattice is the …
A facile method for Tauc exponent and corresponding electronic transitions determination in semiconductors directly from UV–Vis spectroscopy data
In this work, a facile method allowing for estimation of the exponent in the Tauc equation
directly from the UV–vis spectra is presented. It is based on the Taylor expansion of the …
directly from the UV–vis spectra is presented. It is based on the Taylor expansion of the …
Intrinsic spin Hall effect and orbital Hall effect in and transition metals
We study the intrinsic spin Hall conductivity (SHC) in various 5 d transition metals (Ta, W,
Re, Os, Ir, Pt, and Au) and 4 d transition metals (Nb, Mo, Tc, Ru, Rh, Pd, and Ag) based on …
Re, Os, Ir, Pt, and Au) and 4 d transition metals (Nb, Mo, Tc, Ru, Rh, Pd, and Ag) based on …
Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network
Based on an analysis of the short-range chemical environment of each atom in a system,
standard machine-learning-based approaches to the construction of interatomic potentials …
standard machine-learning-based approaches to the construction of interatomic potentials …
Molecular transport junctions: vibrational effects
Transport of electrons in a single molecule junction is the simplest problem in the general
subject area of molecular electronics. In the past few years, this area has been extended to …
subject area of molecular electronics. In the past few years, this area has been extended to …
Electron-phonon coupling in metals at high electronic temperatures
N Medvedev, I Milov - Physical Review B, 2020 - APS
Even though electron-phonon coupling is one of the most important parameters governing
material evolution after ultrafast energy deposition it remains the most unexplored one. In …
material evolution after ultrafast energy deposition it remains the most unexplored one. In …
Incommensurate Spin Fluctuations in the Spin-Triplet Superconductor Candidate
Spin-triplet superconductors are of extensive current interest because they can host
topological state and Majorana fermions important for quantum computation. The uranium …
topological state and Majorana fermions important for quantum computation. The uranium …
Transferable equivariant graph neural networks for the Hamiltonians of molecules and solids
This work presents an E (3) equivariant graph neural network called HamGNN, which can fit
the electronic Hamiltonian matrix of molecules and solids by a complete data-driven method …
the electronic Hamiltonian matrix of molecules and solids by a complete data-driven method …
Giant orbital Hall effect in transition metals: Origin of large spin and anomalous Hall effects
In transition metals and their compounds, the orbital degrees of freedom gives rise to an
orbital current, in addition to the ordinary spin and charge currents. We reveal that …
orbital current, in addition to the ordinary spin and charge currents. We reveal that …