201 citations · 201 across the 1 of their papers we have counts for
7 papers
Cubic HS around 200 GPa: an atomic hydrogen superconductor stabilized by sulfur
D. A. Papaconstantopoulos, B. M. Klein, M. J. Mehl +1
The multiple scattering-based theory of Gaspari and Gyorffy for the electron-ion matrix element in close packed metals is applied to Im-3m H3S, which has been predicted by Duan {\i…
Phonon and Elastic Instabilities in MoC and MoN
G. L. W. Hart, B. M. Klein
We present several results related to the instability of MoC and MoN in the B1 (sodium chloride) structure. These compounds were proposed as potential superconductors with moderate…
Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach
J. E. Pask, B. M. Klein, C. Y. Fong +1
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polyno…
Competition between Magnetic and Structural Transition in CrN
A. Filippetti, W. E. Pickett, B. M. Klein
CrN is observed to undergo a paramagnetic to antiferromagnetic transition accompanied by a shear distortion from cubic NaCl-type to orthorhombic structure. Our first-principle plan…
Anharmonic effects in the A15 compounds induced by sublattice distortions
Z. W. Lu, B. M. Klein
We demonstrate that elastic anomalies and lattice instabilities in the the A15 compounds are describable in terms of first-principles LDA electronic structure calculations. We show…
Interlayer Coupling in Magnetic/Pd Multilayers
Zhu-Pei Shi, Barry M. Klein
The Anderson model of local-state conduction electron mixing is applied to the p roblem of interlayer magnetic coupling in metallic multilayered structures with palladium (Pd) spac…