Efficacious Form for Model Pseudopotentials
A simple way has been discovered to put model pseudopotentials, $V(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})={\ensuremath{\Sigma}}_{\mathrm{lm}}|{Y}_{\mathrm{lm}}〉{V}_{l}...
Publications
5 shownIntrinsic and Rashba spin-orbit interactions in graphene sheets
Starting from a microscopic tight-binding model and using second order perturbation theory, we derive explicit expressions for the intrinsic and Rashba spin-orbit interaction in...
Gradient expansion of the exchange-energy density functional: Effect of taking limits in the wrong order
We show that if one uses a screened Coulomb potential V(K)=4\ensuremath{\pi}/(${K}^{2}$+${K}_{s}^{2}$) to calculate ${\ensuremath{\gamma}}_{x}$, the exchange-energy density-func...
Self-consistent calculations of the energy bands and bonding properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">B</mml:mi></mml:mrow><mml:mrow><mml:mn>12</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
Using a basis set of \ensuremath{\sim}3580 plane waves, we perform ab initio self-consistent calculations of the energy bands and cohesive energy of ${\mathrm{B}}_{12}$${\mathrm...
Error in the tetrahedron integration scheme
We show that the widely used tetrahedron scheme for integrating functions over the Brillouin zone misweights the contributions from the $\stackrel{\ensuremath{\rightarrow}}{\mat...
Frequent Co-Authors
Researcher Info
- h-index
- 5
- Publications
- 5
- Citations
- 7,202
- Institution
- The University of Texas at Austin
External Links
Impact Metrics
h-index
5
h-index: Number of publications with at least h citations each.