Zoran S. Popović

TL;DR: In this article, the electronic structures of perovskite oxides were studied using density functional methods and Antiferromagnetic insulating (AFI) solutions were obtained for both compounds within the local density approximation (LDA).

TL;DR: In this article, it was shown that the spin-orbit coupling strength scales only as the square of the atomic number of the electron's number of vertices, which is a strong indicator of the importance of the spin characters of the bands involved.

TL;DR: In this paper, the electronic structure of graphene with a single substitutional vacancy was studied using a combination of the density-functional, tight-binding and impurity Green's function approaches. And the results showed that the long-range nature of the V? wave function is a unique feature of the graphene vacancy and that this may be one of the reasons for the widely varying relaxed structures and magnetic moments reported from the supercell band calculations in the literature.

TL;DR: In this paper, the authors investigated the electronic structure of the monolayer black phosphorus (BP) using density-functional methods both with and without an applied electric field and found that a simple one-band tight-binding Hamiltonian based on the orbitals and nearest-neighbor hopping is sufficient to describe the band structure in the gap region rather well and justification for this is given from symmetry arguments.

TL;DR: Density-functional studies of the recently fabricated, lattice-matched perovskite titanates (SrTiO3)n/(LaTiO 3)m reveal a classic wedge-shaped potential well for the monolayer structure, originating from the Coulomb potential of a two-dimensional charged La sheet.