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Unconventional superconductivity in magic-angle graphene superlattices
The realization of intrinsic unconventional superconductivity is reported—which cannot be explained by weak electron–phonon interactions—in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle.
Correlated insulator behaviour at half-filling in magic-angle graphene superlattices
It is shown experimentally that when this angle is close to the ‘magic’ angle the electronic band structure near zero Fermi energy becomes flat, owing to strong interlayer coupling, and these flat bands exhibit insulating states at half-filling, which are not expected in the absence of correlations between electrons.
Atomic and electronic structure of solids
Preface Acknowledgements Part I. Crystalline Solids: 1. Atomic structure of crystals 2. The single-particle approximation 3. Electrons in crystal potential 4. Band structure of crystals 5.
Concurrent coupling of length scales: Methodology and application
A strategic objective of computational materials physics is the accurate description of specific materials on length scales approaching the meso and macroscopic. We report on progress towards this
Environment-dependent interatomic potential for bulk silicon
We use recent theoretical advances to develop a functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include an analysis of elastic properties for the
Mixed finite element and atomistic formulation for complex crystals
A general formulation for the analysis of complex Bravais crystals using atomic energy functionals embedded within a finite element framework is presented. The method uses atomistic potentials to
We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists
Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture
We have coupled the continuum, the atomistic, and the quantum descriptions of matter for a unified treatment of the dynamic fracture of silicon. We have devised schemes for handshaking between the
Properties of nitrogen-vacancy centers in diamond: the group theoretic approach
We present a procedure that makes use of group theory to analyze and predict the main properties of the negatively charged nitrogen-vacancy (NV) center in diamond. We focus on the relatively low
Ab initio supercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors
The nitrogen-vacancy center in diamond is a promising candidate for realizing the spin qubits concept in quantum information. Even though this defect has been known for a long time, its electronic