By Klaus Wandelt
Covering interface technological know-how from a unique floor technological know-how viewpoint, this particular instruction manual deals a finished review of this burgeoning field.
Eight topical volumes disguise easy recommendations and strategies, elemental and composite surfaces, solid-gas, solid-liquid and inorganic organic interfaces, in addition to functions of floor technology in nanotechnology, fabrics technology and molecular electronics.
With its huge scope and transparent constitution, it truly is excellent as a reference for scientists within the box, in addition to an creation for newcomers.
Read Online or Download Surface and Interface Science: Volume 1 - Concepts and Methods PDF
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Additional resources for Surface and Interface Science: Volume 1 - Concepts and Methods
Example text
2). Since solids contain lots ( 1023 ) of electrons and the potential due to the nuclei is far from the constant of jelium, we have a challenge. The root of the problem is well known. It is the quantity V e−e , the electron–electron interaction, which contains all the many-body physics of the electronic structure problem. It depends on (at least) 3N spatial coordinates, which are all coupled by the operator V e−e . There are many strategies for obtaining accurate approximate solutions to the many-body Schr¨odinger equation such as Green function self-energy theory, quantum Monte Carlo, configuration interaction (CI), coupled cluster, and effective single-particle theories such as Hartree–Fock (HF) and DFT.
Thus, we anticipate a periodic long-range height modulation of surface atoms. 5 shows images of a reconstructed Pt(100) surface. 5. Note the wavy height (brightness) modulation of the atoms. 5). 5 and Chapter 9). The driving force for these ‘‘reconstructions’’ is the lowering of the surface excess energy. 5 and the cover of volume 2). While ‘‘surface relaxation’’ leaves the structure (periodicity) within the first atomic layer unchanged from that of the second (and any parallel deeper) layer, ‘‘surface reconstruction’’ leads to a dramatic change of the structure of (at least) the first atomic layer.
The defining characteristic of DFT is that it aims to determine the ground-state electron density distribution, n0 , of a system instead of the many-body wave function itself. Since real space is only three dimensional, regardless of the number of electrons in the system, the required minimization is with respect to a function that depends only on three variables and not 3N variables3) . In principle, DFT is thus most useful for many electron systems. Indeed, density functional simulations of systems with thousands of electrons are now common and calculations with tends of thousands of electrons are not unheard of.