Leonard Kleinman

Intrinsic 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 induced gaps in the Dirac-like low-energy band structure of an isolated graphene sheet. The Rashba interaction parameter is first order in the atomic carbon spin-orbit coupling strength

First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe

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Self-consistent calculations of the energy bands and bonding properties of B sub 12 C sub 3

and first order in the external electric field

Chemisorption of oxygen on aluminum surfaces

E

Energy bands, effective masses and g-factors of the lead salts and SnTe

perpendicular to the graphene plane, whereas the intrinsic spin-orbit interaction which survives at

Coherent dynamics of multilevel systems

E=0

Ab initio calculations of boron and its carbides

is second order in

Adsorption structure of 2-butyne on Si(100)-(2×1)

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Adsorption structure of 1,4-cyclohexadiene on Si(001)

. The spin-orbit terms in the low-energy effective Hamiltonian have the form proposed recently by Kane and Mele. Ab initio electronic structure calculations were performed as a partial check on the validity of the tight-binding model.

Adsorption structure of acetylene on Ge(001): A first-principles study

We perform a first principles calculation of the anomalous Hall effect in ferromagnetic bcc Fe. Our theory identifies an intrinsic contribution to the anomalous Hall conductivity and relates it to the k-space Berry phase of occupied Bloch states. This dc conductivity has the same origin as the well-known magneto-optical effect, and our result accounts for experimental measurement on Fe crystals with no adjustable parameters.