61 citations · 140 across the 6 of their papers we have counts for
6 papers
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--…
Quantum Interference, Graphs, Walks, and Polynomials
Yuta Tsuji, Ernesto Estrada, Ramis Movassagh +1
In this paper, we explore quantum interference in molecular conductance from the point of view of graph theory and walks on lattices. By virtue of the Cayley-Hamilton theorem for c…
Superconductivity in SrB3C3 clathrate
Li Zhu, Hanyu Liu, Maddury Somayazulu +12
We predict superconductivity for the carbon-boron clathrate SrB3C3 at 27-43 K for Coulomb pseudopotential (mu*) values between 0.17 and 0.10 using first-principles calculations wit…
Lattice stability and high pressure melting mechanism of dense hydrogen up to 1.5 TPa
Hua Y. Geng, R. Hoffmann, Q. Wu
Lattice stability and metastability, as well as melting, are important features of the physics and chemistry of dense hydrogen. Using ab initio molecular dynamics (AIMD), the class…
The Green's Function for the Hückel (Tight Binding) Model
Ramis Movassagh, Gilbert Strang, Yuta Tsuji +1
Applications of the Hückel (tight binding) model are ubiquitous in quantum chemistry and solid state physics. The matrix representation of this model is isomorphic to an unoriented…
Solid argon as a possible substrate for quasi-freestanding silicene
S. Sattar, R. Hoffmann, U. Schwingenschlögl
We study the structural and electronic properties of silicene on solid Ar(111) substrate using ab-initio calculations. We demonstrate that due to weak interaction quasi-freestandin…