Microscopic Mechanism of the Helix-to-Layer Transformation in Elemental Group VI Solids

We study the conversion of bulk Se and Te, consisting of intertwined a helices, to structurally very dissimilar, atomically thin two-dimensional (2D) layers of these elements. Our ab initio calculations reveal that previously unknown and unusually stable \delta - and \eta-2D allotropes may form in an intriguing multi-step process that involves a concerted motion of many atoms at dislocation defects. We identify such a complex reaction path involving zipper-like motion of such dislocations that initiate structural changes. With low activation barriers <0.3 eV along the optimum path, the conversion process may occur at moderate temperatures. We find all one-dimensional (1D) and 2D chalcogen structures to be semiconducting.Comment: accepted by Nano Letter

Moir\'{e} effects in graphene--hBN heterostructures

Encapsulating graphene in hexagonal Boron Nitride has several advantages: the highest mobilities reported to date are achieved in this way, and precise nanostructuring of graphene becomes feasible through the protective hBN layers. Nevertheless, subtle effects may arise due to the differing lattice constants of graphene and hBN, and due to the twist angle between the graphene and hBN lattices. Here, we use a recently developed model which allows us to perform band structure and magnetotransport calculations of such structures, and show that with a proper account of the moir\'e physics an excellent agreement with experiments can be achieved, even for complicated structures such as disordered graphene, or antidot lattices on a monolayer hBN with a relative twist angle. Calculations of this kind are essential to a quantitative modeling of twistronic devices

Coherence and complementarity based on modified generalized skew information

We introduce modified generalized Wigner-Yanase-Dyson (MGWYD) skew information and modified weighted generalized Wigner-Yanase-Dyson (MWGWYD) skew information. By revisiting state-channel interaction based on MGWYD skew information, a family of coherence measures with respect to quantum channels is proposed. Furthermore, explicit analytical expressions of these coherence measures of qubit states are derived with respect to different quantum channels. Moreover, complementarity relations based on MGWYD skew information and MWGWYD skew information are also presented. Specifically, the conservation relations are investigated, while two interpretations of them including symmetry-asymmetry complementarity and wave-particle duality have been proposed.Comment: 20page

Average skew information-based coherence and its typicality for random quantum states

We study the average skew information-based coherence for both random pure and mixed states. The explicit formulae of the average skew information-based coherence are derived and shown to be the functions of the dimension N of the state space. We demonstrate that as N approaches to infinity, the average coherence is 1 for random pure states, and a positive constant less than 1/2 for random mixed states. We also explore the typicality of average skew information-based coherence of random quantum states. Furthermore, we identify a coherent subspace such that the amount of the skew information-based coherence for each pure state in this subspace can be bounded from below almost always by a fixed number that is arbitrarily close to the typical value of coherence.Comment: 24page

Uncertainty Relations Based on Modified Wigner-Yanase-Dyson Skew Information

Uncertainty relation is a core issue in quantum mechanics and quantum information theory. We introduce modified generalized Wigner-Yanase-Dyson (MGWYD) skew information and modified weighted generalizedWigner-Yanase-Dyson (MWGWYD) skew information, and establish new uncertainty relations in terms of the MGWYD skew information and MWGWYD skew information.Comment: 16 page