The quasiparticle band gap in the topological insulator Bi2Te3

We present a theoretical study of dispersion of states which form the bulk band-gap edges in the three-dimensional topological insulator Bi2Te3. Within density functional theory, we analyze the effect of atomic positions varying within the error range of the available experimental data and approximation chosen for the exchange-correlation functional on the bulk band gap and k-space location of valence- and conduction-band extrema. For each set of the positions with different exchange-correlation functionals, we show how many-body corrections calculated within a one-shot GW approach affect the mentioned characteristics of electronic structure of Bi2Te3. We thus also illustrate to what degree the one-shot GW results are sensitive to the reference one-particle band structure in the case of bismuth telluride. We found that for this topological insulator the GW corrections enlarge the fundamental band gap and for certain atomic positions and reference band structure bring its value in close agreement with experiment.Comment: 12 pages, 6 figures, 5 table

Planar diagrams from optimization

We propose a new toy model of a heteropolymer chain capable of forming planar secondary structures typical for RNA molecules. In this model the sequential intervals between neighboring monomers along a chain are considered as quenched random variables. Using the optimization procedure for a special class of concave--type potentials, borrowed from optimal transport analysis, we derive the local difference equation for the ground state free energy of the chain with the planar (RNA--like) architecture of paired links. We consider various distribution functions of intervals between neighboring monomers (truncated Gaussian and scale--free) and demonstrate the existence of a topological crossover from sequential to essentially embedded (nested) configurations of paired links.Comment: 10 pages, 10 figures, the proof is added. arXiv admin note: text overlap with arXiv:1102.155