相关论文: An analytical approach for calculating transfer in…

Magnetic topological insulators such as Cr-doped (Bi,Sb)2Te3 provide a platform for the realization of versatile time-reversal symmetry-breaking physics. By constructing heterostructures with N\'eel order in an antiferromagnetic CrSb and…

Scanning tunneling microscopy measurements exploiting the natural superstructure modulation of the cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi-2212) have revealed a possible correlation between the Cu-apical-O distance…

We present a new method for the determination of the two-terminal differential conductance through an interacting cluster, where one maps the interacting cluster into a non-interacting cluster of $M$ independent sites (where $M$ is the…

Cluster dynamical mean field calculations are used to construct the superconducting gap function of the two dimensional Hubbard model. The frequency dependence of the imaginary part of the gap function indicates that the pairing is…

Exchange coupling parameters $J_{ij}$ in the Heisenberg model are crucial for describing magnetic behavior at the atomic level. In magnetic materials, spin fluctuations can be accompanied by a self-consistent electronic response --…

A novel efficient method to calculate the scattering matrix (SM) of arbitrary tight-binding Hamiltonians is proposed, including cases with multiterminal structures. In particular, the SM of two kind of fundamental structures are given,…

We follow the evolution of Copper and Oxygen two-hole excitations, in optimally doped (Ca$_{x}$La$_{1-x}$)(Ba$_{1.75-x}$La$_{0.25+x} $)Cu$_{3}$O$_{y}$ for $x=0.1$ and $x=0.4$. The spectra have contributions from band states as well as a…

By using a multiscale approach based on first-principles density functional theory combined with atomistic spin dynamics, we investigate the electronic structure and magnetization dynamics of an inverse Heusler and a Heusler compound and…

We have measured magnetic field dependences of the attenuation and velocity of surface acoustic waves in a high-mobility $n$-GaAs/AlGaAs structure with a wide quantum well. The results allowed us to find the complex conductance,…

Recent theoretical work has provided evidence that hybrid functionals, which include a fraction of exact (Hartree Fock) exchange in the density functional theory (DFT) exchange and correlation terms, significantly improve the description of…

Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…

The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…

We consider a spin Hamiltonian describing $d$-$d$ exchange interactions between localized spins $d$ of a finite antiferromagnet as well as $p$-$d$ interactions between a conducting hole ($p$) and localized spins. The spin Hamiltonian is…

We used ab-initio quantum chemical methods, treating explicitly the strong correlation effects within the cobalt 3d shell, as well as the screening effects on the effective integrals, for accurately determining on-site and nearest-neighbor…

Superexchange calculation is performed for multi-orbital band models with broken inversion symmetry. Orbital-changing hopping terms allowed by the symmetry breaking electric field lead to a new kind of orbital exchange term closely…

For superconducting quantum processors consisting of low anharmonicity qubits such as transmons we give a complete microwave description of the system in the qubit subspace. We assume that the qubits are dispersively coupled to a…

The ferromagnetic transition in a diluted magnetic semiconductor with localized charge carriers is inevitably a percolation transition. In this work we theoretically study the correlation between this magnetic percolation and transport…

Magnetic properties of metals are investigated through electronic structure calculations based on the recently-proposed magnetic-field-containing relativistic tight-binding approximation (MFRTB) method [Phys. Rev. B \textbf{91}, 075122…

We present two magnetometry-based methods suitable for assessing gradients in the critical temperature and hence the composition of multifilamentary superconductors: AC magnetometry and Scanning Hall Probe Microscopy. The novelty of the…

The density-matrix renormalization group method is used to study the ground state of the two-chain zigzag-bond Hubbard model at quarter filling. We show that, with a proper choice of the signs of hopping integrals, the ring exchange…