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Unconventional superconductivity in magic-angle graphene superlattices

- Yuan Cao, V. Fatemi, +4 authors P. Jarillo-Herrero
- MedicineNature
- 5 March 2018

TLDR

Correlated insulator behaviour at half-filling in magic-angle graphene superlattices

- Yuan Cao, V. Fatemi, +9 authors P. Jarillo-Herrero
- Materials Science, PhysicsNature
- 2 February 2018

TLDR

Atomic and electronic structure of solids

- E. Kaxiras
- Materials Science, Physics
- 2003

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.… Expand

Concurrent coupling of length scales: Methodology and application

- J. Q. Broughton, F. Abraham, N. Bernstein, E. Kaxiras
- Physics
- 15 July 1999

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… Expand

Environment-dependent interatomic potential for bulk silicon

- M. Bazant, E. Kaxiras, J. Justo
- Materials Science, Physics
- 16 April 1997

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… Expand

Mixed finite element and atomistic formulation for complex crystals

- E. Tadmor, G. Smith, N. Bernstein, E. Kaxiras
- Physics
- 1999

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… Expand

INTERATOMIC POTENTIAL FOR SILICON DEFECTS AND DISORDERED PHASES

- J. Justo, M. Bazant, E. Kaxiras, V. Bulatov, S. Yip
- Materials Science, Physics
- 4 December 1997

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… Expand

Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture

- F. Abraham, J. Q. Broughton, N. Bernstein, E. Kaxiras
- Materials Science
- 15 December 1998

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… Expand

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… Expand

Ab initio supercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors

- Á. Gali, M. Fyta, E. Kaxiras
- Physics
- 8 March 2008

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… Expand

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