Related papers: Modelling spin qubits in carbon peapods
Magnetic graphene-ribbon is a candidate for realizing future ultra high density 100 tera bit/inch2 class data storage media. In order to increase the saturation magnetization, first principles DFT analysis was done for Fe, Co, Ni-modified…
Strongly interacting one-dimensional (1D) Bose-Fermi mixtures form a tunable XXZ spin chain. Within the spin-chain model developed here, all properties of these systems can be calculated from states representing the ordering of the bosons…
Carbon nanoribbon or nanographene qubit arrays can facilitate quantum-to-quantum transduction between light, charge, and spin, making them an excellent testbed for fundamental science in quantum coherent systems and for the construction of…
The decay of spin-valley states is studied in a suspended carbon nanotube double quantum dot via leakage current in Pauli blockade and via dephasing and decoherence of a qubit. From the magnetic field dependence of the leakage current,…
We investigate hyperfine interaction (HFI) using density-functional theory for several open-shell planar $sp^2$-carbon nanostructures displaying $\pi$ magnetism. Our prototype structures include both benzenoid ([$n$]triangulenes and a…
Interaction-induced magnetism at the ends of carbon nanotubes is studied theoretically, with a special focus on magnetic anisotropies. Spin-orbit coupling, generally weak in ordinary graphene, is strongly enhanced in nanotubes. In…
We consider theoretically ${}^{13}$C-hyperfine interaction induced dephasing in carbon nanotubes double quantum dots with curvature induced spin-orbit coupling. For two electrons initially occupying a single dot, we calculate the average…
The coherent spin-polarized electron transport through a zigzag-edge graphene flake (ZGF), sandwiched between two semi-infinite armchair graphene nanoribbons, is investigated by means of Landauer-Buttiker formalism. To study the edge…
Understanding the spin dynamics in semiconductor heterostructures is highly important for future semiconductor spintronic devices. In high-mobility two-dimensional electron systems (2DES), the spin lifetime strongly depends on the initial…
It is well-known that ferromagnetism can be realized along the zigzag graphene nanoribbon edges, but the armchair graphene nanoribbon edges (AGNEs) are nonmagnetic. Here, we achieve Heisenberg antiferromagnetic spin chains through edge…
We study the magnetic properties of the adatom systems on a semiconductor surface Si(111):\{C,Si,Sn,Pb\} - ($\sqrt{3} \times \sqrt{3}$). On the basis of all-electron density functional theory calculations we construct effective low-energy…
We develop a microscopic theory of multipole interactions and orderings in 5$d^2$ transition metal ion compounds. In a cubic environment, the ground state of 5$d^2$ ions is a non-Kramers $E_g$ doublet, which is nonmagnetic but hosts…
We present theoretical predictions of spintronic transport phenomena that should be observable in ferromagnetic Fe nanocontacts bridged by chains of Fe atoms. We develop appropriate model Hamiltonians based on semi-empirical considerations…
The electronic and magnetic properties of carbon nanobuds have been investigated using density functional theory. The carbon nanobuds are formed by attaching smaller fullerenes (C20, C28, C36 and C40) of variable size with (5,5) ACNT and…
In Heisenberg models with exchange anisotropy, transverse spin components are not conserved and can decay not only by transport, but also by dephasing. Here we utilize ultracold atoms to simulate the dynamics of 1D Heisenberg spin chains,…
In a multiply hydrogenated polymer of phenalenyl tessellation molecules (PTMs), spatially overlapping zero modes appear, and three spin-aligned electron spins per PTM are generated through direct exchange interactions in the strongly…
Using density-functional theory calculations, we investigate the addition energy (AE) of quantum dots formed of fullerenes or closed single-wall carbon nanotubes. We focus on the connection between symmetry and oscillations in the AE…
We combine {\em ab initio} density functional theory (DFT) structural studies with DFT-based nonequilibrium Green function calculations to investigate how the presence of non-hexagonal rings affects electronic transport in graphitic…
We study the nature of spin excitations of individual transition metal atoms (Ti, V, Cr, Mn, Fe, Co and Ni) deposited on a Cu$_2$N/Cu(100) surface using both spin-polarized density functional theory (DFT) and exact diagonalization of an…
We present systematic quantitative description of the magnetoconductance of the split-gate quantum wires. Accounting for the exchange and correlation interactions within the spin density function theory (DFT) leads to the lifting of the…