van der Waals bilayer energetics: Generalized stacking-fault energy of graphene, boron nitride, and graphene/boron nitride bilayers

Sliding Mechanisms in Multilayered Hexagonal Boron Nitride and Graphene: The Effects of Directionality, Thickness, and Sliding Constraints

(2015) Wang Gao et al.   PHYSICAL REVIEW LETTERS

Atomistic, generalized Peierls–Nabarro and analytical models for (111) twist boundaries in Al, Cu and Ni for all twist angles

(2014) Shuyang Dai et al.   ACTA MATERIALIA

Tunable Exciton Funnel Using Moiré Superlattice in Twisted van der Waals Bilayer

(2014) Menghao Wu et al.   NANO LETTERS

Stacking textures and singularities in bilayer graphene

(2014) Xingting Gong et al.   PHYSICAL REVIEW B

Interpretation of van der Waals density functionals

(2014) Per Hyldgaard et al.   PHYSICAL REVIEW B

Ab initiotheory of moiré superlattice bands in layered two-dimensional materials

(2014) Jeil Jung et al.   PHYSICAL REVIEW B

Superlubric Sliding of Graphene Nanoflakes on Graphene

(2013) Xiaofeng Feng et al.   ACS Nano

Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence

(2013) Jianwei Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Dislocations in bilayer graphene

(2013) Benjamin Butz et al.   NATURE

Theory of the Raman spectrum of rotated double-layer graphene

(2013) Sinisa Coh et al.   PHYSICAL REVIEW B

Effect of strain on the stacking fault energy of copper: A first-principles study

(2013) P. S. Branicio et al.   PHYSICAL REVIEW B

Density Functionals that Recognize Covalent, Metallic, and Weak Bonds

(2013) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

Stacking in Bulk and Bilayer Hexagonal Boron Nitride

(2013) Gabriel Constantinescu et al.   PHYSICAL REVIEW LETTERS

Structure and energy of (111) low-angle twist boundaries in Al, Cu and Ni

(2012) Shuyang Dai et al.   ACTA MATERIALIA

Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation

(2012) Jianwei Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Cross-sectional imaging of individual layers and buried interfaces of graphene-based heterostructures and superlattices

(2012) S. J. Haigh et al.   NATURE MATERIALS

Graphene on metal surfaces and its hydrogen adsorption: A meta-GGA functional study

(2012) Mie Andersen et al.   PHYSICAL REVIEW B

Raman Spectroscopy Study of Rotated Double-Layer Graphene: Misorientation-Angle Dependence of Electronic Structure

(2012) Kwanpyo Kim et al.   PHYSICAL REVIEW LETTERS

Field-Effect Tunneling Transistor Based on Vertical Graphene Heterostructures

(2012) L. Britnell et al.   SCIENCE

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Moire bands in twisted double-layer graphene

(2011) R. Bistritzer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Imaging Stacking Order in Few-Layer Graphene

(2010) Chun Hung Lui et al.   NANO LETTERS

Boron nitride substrates for high-quality graphene electronics

(2010) C. R. Dean et al.   Nature Nanotechnology

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids

(2010) Judith Harl et al.   PHYSICAL REVIEW B

Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride

(2010) Noa Marom et al.   PHYSICAL REVIEW LETTERS

Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation

(2010) S. Lebègue et al.   PHYSICAL REVIEW LETTERS

Frictional Characteristics of Atomically Thin Sheets

(2010) C. Lee et al.   SCIENCE

Treatment of Layered Structures Using a Semilocal meta-GGA Density Functional

(2009) Georg K. H. Madsen et al.   Journal of Physical Chemistry Letters

Direct observation of a widely tunable bandgap in bilayer graphene

(2009) Yuanbo Zhang et al.   NATURE

Observation of Van Hove singularities in twisted graphene layers

(2009) Guohong Li et al.   Nature Physics

Accurate Bulk Properties from Approximate Many-Body Techniques

(2009) Judith Harl et al.   PHYSICAL REVIEW LETTERS

A generalized Peierls–Nabarro model for curved dislocations and core structures of dislocation loops in Al and Cu

(2008) Yang Xiang et al.   ACTA MATERIALIA

Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory

(2008) Judith Harl et al.   PHYSICAL REVIEW B

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS