51 citations · 289 across the 32 of their papers we have counts for
9 papers · 1 filter
Topological Catastrophe and Isostructural Phase Transition in Calcium
Travis E. Jones, Mark E. Eberhart, Dennis P. Clougherty
We predict a quantum phase transition in fcc Ca under hydrostatic pressure. Using density functional theory, we find at pressures below 80 kbar, the topology of the electron charge…
Electronic Selection Rules Controlling Dislocation Glide in bcc Metals
Travis E. Jones, Mark E. Eberhart, Dennis P. Clougherty +1
The validity of the structure-property relationships governing the deformation behavior of bcc metals was brought into question with recent {\it ab initio} density functional studi…
Topology of the Spin-polarized Charge Density in bcc and fcc Iron
Travis E. Jones, Mark E. Eberhart, Dennis P. Clougherty
We investigate the topology of the spin-polarized charge density in bcc and fcc iron. While the total spin-density is found to possess the topology of the non-magnetic prototypical…
Polarons and Solitons in Jahn-Teller Systems
Dennis P. Clougherty
Using a semiclassical continuum model of an electron in a deformable molecular crystal, some properties of multicomponent generalizations of the polaron--``vector polarons''-- are…
Jahn-Teller Solitons, Structural Phase Transitions and Phase Separation
Dennis P. Clougherty
It is demonstrated that under common conditions a molecular solid subject to Jahn-Teller interactions supports stable Q-ball-like non-topological solitons. Such solitons represent…
Looking for Design in Materials Design
M. E. Eberhart, D. P. Clougherty
Despite great advances in computation, materials design is still science fiction. The construction of structure-property relations on the quantum scale will turn computational empi…