d Surface states in transition metals

Interface magnetism of 3 d transition metals

Boron Induced Surface Modification of Transition Metals

BORON INDUCED SURFACE MODIFICATION OF TRANSITION METALS by Raghasudha Vangaveti Boronizing is a thermo-chemical surface treatment of metals in which boron atoms diffuse into the metal substrate and form hard metallic borides. As a result of boronizing, several properties such as hardness, wear resistance, corrosion resistance, and high temperature oxidation resistance improve which make the met...

Bulk metals with helical surface states

In the flurry of experiments looking for topological insulator materials, it has been recently discovered that some bulk metals very close to topological insulator electronic states support the same topological surface states that are the defining characteristic of the topological insulator. First observed in spin-polarized angle resolved photoemission spectroscopy ARPES in Sb D. Hsieh et al., ...

Surface reconstruction transition of metals induced by molecular adsorption

Two surface reconstruction patterns, strikingly different from the Au(111) intrinsic herringbone reconstruction, have been observed at the interfaces between Au(111) and the self-assembled monolayer of perylene or iron phthalocyanine by scanning tunneling microscopy (STM). These interfacial structures, elucidated by using the two-dimensional Frenkel-Kontorova model and density-functional theory...

Nonuniform scaling applied to surface energies of transition metals.

We construct a generalized gradient approximation of the exchange-correlation energy that satisfies the nonuniform scaling in one dimension and is accurate in the whole quasi-two-dimensional (Q2D) regime. Using spatial and energetic analyses of metal (111) surfaces, we show that the Q2D behavior is important at the surface of most transition metals, and that the here proposed Q2D-generalized gr...