Research paperComputational DFTTheoreticalStrong current in carbon nanoconductors: Mechanical and magnetic stabilityS. Leitherer, N. Papior, M. BrandbygearXiv·2024·10.1038/nature12952·arXiv:2407.01750AbstractDensity functional theory with a bulkbias approach is used to study how strong electrical current affects the mechanical and magnetic properties of carbon nanoconductors. The paper examines carbon chains, silicon chains, graphene, single-walled carbon nanotubes, polyacetylene, and graphene zig-zag edge states, finding little current-induced weakening of carbon bonds but significant current-induced changes to magnetism.Read more
Linear one-dimensional carbon chain (carbyne) studied under bulkbias current.2 propertiesSimulated Supercell DftCStudied MaterialExpand
Linear one-dimensional silicon chain studied under bulkbias current for comparison with carbon chain.2 propertiesSimulated Supercell DftSiStudied MaterialExpand
Infinite graphene sheet under applied current with transport direction defined by bulkbias.1 propertySimulated Supercell DftCStudied MaterialExpand
Single-walled carbon nanotube with (5,5) armchair chirality studied under bulkbias current.2 propertiesSimulated Supercell DftCStudied MaterialExpand
Single-walled carbon nanotube with (9,0) zigzag chirality studied under bulkbias current.1 propertySimulated Supercell DftCStudied MaterialExpand
Polyacetylene chain studied under bulkbias current; dimerization discussed as bond-length alternation.1 propertySimulated Supercell Dft(CH)xStudied MaterialExpand
Graphene zig-zag edge state system used to examine current-induced quenching of magnetism.1 propertySimulated Supercell DftCStudied MaterialExpand
Research paperComputational DFTTheoreticalStrong current in carbon nanoconductors: Mechanical and magnetic stabilityS. Leitherer, N. Papior, M. BrandbygearXiv·2024·10.1038/nature12952·arXiv:2407.01750AbstractDensity functional theory with a bulkbias approach is used to study how strong electrical current affects the mechanical and magnetic properties of carbon nanoconductors. The paper examines carbon chains, silicon chains, graphene, single-walled carbon nanotubes, polyacetylene, and graphene zig-zag edge states, finding little current-induced weakening of carbon bonds but significant current-induced changes to magnetism.Read more
Linear one-dimensional carbon chain (carbyne) studied under bulkbias current.2 propertiesSimulated Supercell DftCStudied MaterialExpand
Linear one-dimensional silicon chain studied under bulkbias current for comparison with carbon chain.2 propertiesSimulated Supercell DftSiStudied MaterialExpand
Infinite graphene sheet under applied current with transport direction defined by bulkbias.1 propertySimulated Supercell DftCStudied MaterialExpand
Single-walled carbon nanotube with (5,5) armchair chirality studied under bulkbias current.2 propertiesSimulated Supercell DftCStudied MaterialExpand
Single-walled carbon nanotube with (9,0) zigzag chirality studied under bulkbias current.1 propertySimulated Supercell DftCStudied MaterialExpand
Polyacetylene chain studied under bulkbias current; dimerization discussed as bond-length alternation.1 propertySimulated Supercell Dft(CH)xStudied MaterialExpand
Graphene zig-zag edge state system used to examine current-induced quenching of magnetism.1 propertySimulated Supercell DftCStudied MaterialExpand
Research paperComputational DFTTheoreticalStrong current in carbon nanoconductors: Mechanical and magnetic stabilityS. Leitherer, N. Papior, M. BrandbygearXiv·2024·10.1038/nature12952·arXiv:2407.01750AbstractDensity functional theory with a bulkbias approach is used to study how strong electrical current affects the mechanical and magnetic properties of carbon nanoconductors. The paper examines carbon chains, silicon chains, graphene, single-walled carbon nanotubes, polyacetylene, and graphene zig-zag edge states, finding little current-induced weakening of carbon bonds but significant current-induced changes to magnetism.Read more
Linear one-dimensional carbon chain (carbyne) studied under bulkbias current.2 propertiesSimulated Supercell DftCStudied MaterialExpand
Linear one-dimensional silicon chain studied under bulkbias current for comparison with carbon chain.2 propertiesSimulated Supercell DftSiStudied MaterialExpand
Infinite graphene sheet under applied current with transport direction defined by bulkbias.1 propertySimulated Supercell DftCStudied MaterialExpand
Single-walled carbon nanotube with (5,5) armchair chirality studied under bulkbias current.2 propertiesSimulated Supercell DftCStudied MaterialExpand
Single-walled carbon nanotube with (9,0) zigzag chirality studied under bulkbias current.1 propertySimulated Supercell DftCStudied MaterialExpand
Polyacetylene chain studied under bulkbias current; dimerization discussed as bond-length alternation.1 propertySimulated Supercell Dft(CH)xStudied MaterialExpand
Graphene zig-zag edge state system used to examine current-induced quenching of magnetism.1 propertySimulated Supercell DftCStudied MaterialExpand
Research paperComputational DFTTheoreticalStrong current in carbon nanoconductors: Mechanical and magnetic stabilityS. Leitherer, N. Papior, M. BrandbygearXiv·2024·10.1038/nature12952·arXiv:2407.01750AbstractDensity functional theory with a bulkbias approach is used to study how strong electrical current affects the mechanical and magnetic properties of carbon nanoconductors. The paper examines carbon chains, silicon chains, graphene, single-walled carbon nanotubes, polyacetylene, and graphene zig-zag edge states, finding little current-induced weakening of carbon bonds but significant current-induced changes to magnetism.Read more
Linear one-dimensional carbon chain (carbyne) studied under bulkbias current.2 propertiesSimulated Supercell DftCStudied MaterialExpand
Linear one-dimensional silicon chain studied under bulkbias current for comparison with carbon chain.2 propertiesSimulated Supercell DftSiStudied MaterialExpand
Infinite graphene sheet under applied current with transport direction defined by bulkbias.1 propertySimulated Supercell DftCStudied MaterialExpand
Single-walled carbon nanotube with (5,5) armchair chirality studied under bulkbias current.2 propertiesSimulated Supercell DftCStudied MaterialExpand
Single-walled carbon nanotube with (9,0) zigzag chirality studied under bulkbias current.1 propertySimulated Supercell DftCStudied MaterialExpand
Polyacetylene chain studied under bulkbias current; dimerization discussed as bond-length alternation.1 propertySimulated Supercell Dft(CH)xStudied MaterialExpand
Graphene zig-zag edge state system used to examine current-induced quenching of magnetism.1 propertySimulated Supercell DftCStudied MaterialExpand