184 citations · 822 across the 33 of their papers we have counts for
13 papers · 1 filter
Electron-phonon coupling in semimetals in a high magnetic field
P. B. Littlewood, B. Mihaila, R. C. Albers
We consider the effect of electron-phonon coupling in semimetals in high magnetic fields, with regard to elastic modes that can lead to a redistribution of carriers between pockets…
Strain-Induced Conduction Band Spin Splitting in GaAs from First Principles Calculations
Athanasios N. Chantis, Manuel Cardona, Niels E. Christensen +5
We use a recently developed self-consistent GW approximation to present first principles calculations of the conduction band spin splitting in GaAs under [110] strain. The spin orb…
Spin-Orbit Coupling in an f-electron Tight-Binding Model
M. D. Jones, R. C. Albers
We extend a tight-binding method to include the effects of spin-orbit coupling, and apply it to the study of the electronic properties of the actinide elements Th, U, and Pu. These…
Reversal of spin polarization in Fe/GaAs (001) driven by resonant surface states: First-principles calculations
Athanasios N. Chantis, Kirill D. Belashchenko, Darryl L. Smith +3
A minority-spin resonant state at the Fe/GaAs(001) interface is predicted to reverse the spin polarization with voltage bias of electrons transmitted across this interface. Using a…
Angle-resolved photoemission and first-principles electronic structure of single-crystalline -uranium (001)
C. P. Opeil, R. K. Schulze, H. M. Volz +9
Continuing the photoemission study begun with the work of Opeil et al. [Phys. Rev. B \textbf{73}, 165109 (2006)], in this paper we report results of an angle-resolved photoemission…
An Empirical Tight-Binding Model for Titanium Phase Transformations
D. R. Trinkle, M. D. Jones, R. G. Hennig +3
For a previously published study of the titanium hcp (alpha) to omega (omega) transformation, a tight-binding model was developed for titanium that accurately reproduces the struct…
Landau Theory For Shape Memory Polycrystals
Rajeev Ahluwalia, Turab Lookman, Avadh Saxena +1
We propose a Ginzburg-Landau theory for the elastic properties of shape memory polycrystals. A single crystal elastic free energy for a system that undergoes a square-to-rectangle…
Thermal Stabilization of the HCP Phase in Titanium
Sven P. Rudin, M. D. Jones, R. C. Albers
We have used a tight-binding model that is fit to first-principles electronic-structure calculations for titanium to calculate quasi-harmonic phonons and the Gibbs free energy of t…
A New Mechanism for the Alpha to Omega Martensitic Transformation in Pure Titanium
D. R. Trinkle, R. G. Hennig, S. G. Srinivasan +5
We propose a new direct mechanism for the pressure driven alpha to omega martensitic transformation in pure titanium. A systematic algorithm enumerates all possible mechanisms whos…
Mechanism for BCC to HCP Transformation: Generalization of the Burgers Model
S. G. Srinivasan, D. M. Hatch, H. T. Stokes +3
Many structural transformations involve a group-nonsubgroup relationship between the initial and transformed phases, and hence are beyond the purview of conventional Landau theory.…
Block-Diagonalization and f-electron Effects in Tight-Binding Theory
Matthew D. Jones, R. C. Albers
We extend a tight-binding total energy method to include f-electrons, and apply it to the study of the structural and elastic properties of a range of elements from Be to U. We fin…
First-Principles-Based Thermodynamic Description of Solid Copper Using the Tight-Binding Approach
Sven P. Rudin, M. D. Jones, C. W. Greeff +1
A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes. With the r…
Theoretical Atomic Volumes of fcc Thorium and Plutonium
J. C. Boettger, M. D. Jones, R. C. Albers +1
The zero-presssure zero-temperature equilibrium volume and bulk modulus are calculated for fcc Th and Pu by two independent all-electron, full-potential, electronic-structure metho…