Materials of the general form MX2 (transition metal dichalcogenides) have generated a lot of interest recently. They can form nanoribbons like graphene and such nanoribbons have versatile electronic structures and can be metallic or semiconducting by changing the edges of the ribbon. The electronic properties of such materials are not fully understood till now. In this paper we investigate one ...

2014 Using a generalized Fermi liquid approach for the f states together with a fully relativistic self-consistent LMTO band structure for the spd states we determine the quasi-particle band structure for the new heavy-fermion system 03B1Ce3Al. Our model study for the low energy excitations of the Ce 4f states near the Fermi level requires the specification of both the symmetry of the f scatter...

The electronic structure of a large ~4096 atom! and realistic model of amorphous diamond is studied. The density of states and the individual eigenstates in the valence-band tail and midgap region are computed with two ‘‘order-N’’ spectral electronic-structure methods: the maximum entropy method and the shifted Lanczos method. We observe approximately exponential band tails at both valenceand c...

In this paper, we present calculations for different parameters of quantum dot infrared photodetectors. We considered a structure which includes quantum dots with large conduction-band-offset materials (GaN/AlGaN). Single band effective mass approximation has been applied in order to calculate the electronic structure. Throughout the modeling, we tried to consider the limiting factors which dec...

Graphene is an intriguing material in view of its unique Dirac quasi-particles, and the manipulation of its electronic structure is important in material design and applications. Here, we theoretically investigate the electronic band structure of epitaxial graphene on SiC with intercalation of rare earth metal ions (e.g., Yb and Dy) using first-principles calculations. The intercalation can be ...