1.3k citations
- Lawrence Berkeley National LaboratoryUS185 papers
- University of California, BerkeleyUS86 papers
- Kavli Energy NanoScience InstituteUS35 papers
- Advanced Light Source12 papers
- Centre National de la Recherche ScientifiqueFR9 papers
- Columbia UniversityUS8 papers
- Weizmann Institute of ScienceIL8 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR6 papers
- Foundry (United Kingdom)GB6 papers
- National Institute for Materials ScienceJP6 papers
- Technical University of MunichDE6 papers
- University of PennsylvaniaUS6 papers
6 papers · 1 filter
Z topology and superconductivity from symmetry lowering of a 3D Dirac Metal AuPb
Leslie M. Schoop, Lilia S. Xie, Ru Chen +12
3D Dirac semi-metals (DSMs) are materials that have massless Dirac electrons and exhibit exotic physical properties It has been suggested that structurally distorting a DSM can cre…
Examples of molecular self-assembly at surfaces
Stephen Whitelam
The self-assembly of molecules at surfaces can be caused by a range of physical mechanisms. Assembly can be driven by intermolecular forces, or molecule-surface forces, or both; it…
Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions
Michele Kotiuga, Pierre Darancet, Carlos R. Arroyo +2
Recent experiments have shown that transport properties of molecular-scale devices can be reversibly altered by the surrounding solvent. Here, we use a combination of first-princip…
The Statistical Mechanics of Dynamic Pathways to Self-assembly
Stephen Whitelam, Robert L. Jack
We describe some of the important physical characteristics of the `pathways', i.e. dynamical processes, by which molecular, nanoscale and micron-scale self-assembly occurs. We high…
Numerical integration for ab initio many-electron self energy calculations within the GW approximation
Fang Liu, Lin Lin, Derek Vigil-Fowler +8
We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the sel…
A density functional theory study of FeAs comparing LDA+U, GGA+U and hybrid functionals
Sinéad M. Griffin, Nicola A. Spaldin
We use density functional theory within the local density approximation (LDA), LDA+U, generalized gradient approximation (GGA), GGA+U, and hybrid-functional methods to calculate th…