Paper Title:

Behind the Quantum and Size Effects: Broken-Bond-Induced Local Strain and Skin-Depth Densified Quantum Trapping of Charge and Energy

Periodical Key Engineering Materials (Volume 444)
Main Theme Size Effects in Metals, Semiconductors and Inorganic Compounds
Edited by Grégory Guisbiers and Dibyendu Ganguli
Pages 17-45
DOI 10.4028/www.scientific.net/KEM.444.17
Citation Li Kun Pan et al., 2010, Key Engineering Materials, 444, 17
Online since July 2010
Authors Li Kun Pan, Ming Xia Gu, Gang Ouyang, Chang Q. Sun
Keywords Atomic Cohesive Energy, BOLS Theory, Chemical Bond, Hamiltonian, Lattice Dynamics, Mechanical Strength, Nanostructure, Phase Transition, Photoabsorption, Photoluminescence (PL), Size Effect, Surface
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Shrinking the size of a solid down to nanometer scale is indeed fascinating, which makes all the otherwise constant physical quantities to be tunable such as the Young’s modulus, dielectric constant, melting point, etc. The variation of size also generates novel properties that can hardly be seen in the bulk such as the conductor-insulator and nonmagnetic-magnetic transition of noble metals at the nanoscale. Although the physics of materials at the nanoscale has been extensively investigated, the laws governing the energetic and dynamic behavior of electrons at such a scale and their consequences on the tunable physical properties of nanostructures have not been well understood [C. Q. Sun, Prog Solid State Chem 35, 1-159 (2007); Prog Mater Sci 54, 179-307 (2009)]. The objective of the contribution is to update the recent progress in dealing with the coordination-resolved energetic and dynamic behavior of bonds in the low-dimensional systems with consideration of the joint effect of temperature and pressure. It is shown that the broken-bond-induced local strain and the associated charge and energy quantum trapping at the defect sites perturbs the atomic cohesive energy, electroaffinity, the Hamiltonian and the associated properties of entities ranging from point defects, surfaces, nanocavities and nanostructures. Application of the theories to observations has led to consistent understanding of the behavior of nanometer-sized materials and the interdependence of these entities as well as the means of determining the bond energy through the temperature-dependent measurements.

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