Related papers: Valence-band mixing in first-principles envelope-f…
The propagation of Dirac fermions in graphene through a long-period periodic potential would result in a band folding together with the emergence of a series of cloned Dirac points (DPs). In highly aligned graphene/hexagonal boron nitride…
The interlayer coupling between (Ga,Mn)As ferromagnetic layers in all-semiconductor superlattices is studied theoretically within a tight-binding model, which takes into account the crystal, band and magnetic structure of the constituent…
A cornerstone of advanced materials design is establishing a framework for assembling nanoparticle superstructures with tailored symmetries. A longstanding challenge has been assembling diamond-like superstructures for photonic devices.…
Multiband superconductors have featured one of the main challenges to achieve a comprehensive understanding of unconventional superconductivity. Here, the multiband character is studied separately as orbital and sublattice degrees of…
A modified core-to-valence band maximum approach is applied to calculate band offsets of strained III/V semiconductor hetero junctions. The method is used for the analysis of (In,Ga)As/GaAs/Ga(As,Sb) multi-quantum well structures. The…
We compare the quasiparticle band structure for a model insulator obtained from the fluctuation exchange approximation (FEA) with the eigenvalues of the corresponding density functional theory (DFT) and local density approximation (LDA).…
Recent experiments have shown a remarkable number of collapse-and-revival oscillations of the matter-wave coherence of ultracold atoms in optical lattices [Will et al., Nature 465, 197 (2010)]. Using a mean-field approximation to the…
We introduce a new renormalisation scheme to construct the Landau quasiparticles of Fermi fluids. The scheme relies on an energy cutoff $\Lambda$ which removes the quasi-resonant couplings, enabling the dressing of the particles into…
We revisit the electronic structure and band topology of monolayer 1H-NbSe$_2$, which hosts both superconductivity and charge density wave, and its related compounds 1H-MoS$_2$, NbS$_2$, TaS$_2$, TaSe$_2$ and WS$_2$. We construct a 6-band,…
A multiband empirical tight-binding model for group-III-nitride semiconductors with a wurtzite structure has been developed and applied to both bulk systems and embedded quantum dots. As a minimal basis set we assume one s-orbital and three…
Structure of eight superdeformed bands in the nucleus 151Tb is analyzed using the results of the Hartree-Fock and Woods-Saxon cranking approaches. It is demonstrated that far going similarities between the two approaches exist and…
The dispersion of Rashba-split heavy-hole subbands in GaAs two-dimensional hole gases (2DHGs) is difficult to access experimentally because strong heavy-hole-light-hole mixing produces non-parabolicity and breaks the usual correspondence…
We have investigated the optical and transport properties of MBE grown short-period superlattices of InAs/GaAs with different numbers of periods (3 <= N <= 24) and a total thickness 14 nm. Bandstructure calculations show that these…
The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the $k\cdot p$ matrix elements are generally only known in a particular basis. In this work, we defined a basis…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…
The MBE-grown GaAs/AlGaAs superlattice with Si-doped barriers has been used to study a 3D-2D transition under the influence of the in-plane component of applied magnetic field. The longitudinal magnetoresistance data measured in tilted…
An appropriate combination of the scattering theory and the transfer matrix formalism, for the solution of a (4 x 4) Kohn-Luttinger model, allow us to study the multichannel-multiband transmission process of heavy and light holes through a…
Rapid design and development of the emergent ultra-wide bandgap semiconductors Ga$_2$O$_3$ and Al$_2$O$_3$ requires a compact model of their electronic structures, accurate over the broad energy range accessed in future high-field,…
We propose a systematic procedure for constructing effective lattice fermion models for narrow-band compounds on the basis of first-principles electronic structure calculations. The method is illustrated for the series of transition-metal…