371 citations · 1.2k across the 18 of their papers we have counts for
8 papers · 1 filter
High-pressure lithium as an elemental topological semimetal
S. F. Elatresh, Zhimou Zhou, N. W. Ashcroft +3
Topological semimetals generally contain heavy elements. Using density-functional theoretic calculations, we predict that three dense lithium polymorphs in the pressure range 200--…
Nonlinear response theories and effective pair potentials
Simon Gravel, N. W. Ashcroft
We present a general method based on nonlinear response theory to obtain effective interactions between ions in an electron gas which can also be applied to other systems where an…
First-principles study of adhesion at Cu/SiO interfaces
Kazutaka Nagao, J. B. Neaton, N. W. Ashcroft
The structural, electronic, and adhesive properties of Cu/SiO interfaces are investigated using first-principles density-functional theory within the local density approximatio…
Low-Energy Linear Structures in Dense Oxygen: Implications for the -phase
J. B. Neaton, N. W. Ashcroft
Using density functional theory implemented within the generalized gradient approximation, a new non-magnetic insulating ground state of solid oxygen is proposed and found to be en…
On the constitution of sodium at higher densities
J. B. Neaton, N. W. Ashcroft
Using density functional theory the atomic and electronic structure of sodium are predicted to depart substantially from those expected of simple metals for 2.48 (…
Extending Linear Response: Inferences from Electron-Ion Structure Factors
A. A. Louis, N. W. Ashcroft
Linear response methods applied to electron systems often display a level of accuracy which is notable when viewed in terms of the strengths of perturbing interactions. Neglect of…