MRS Proceedings

Table of Contents - Volume  960  - Symposium N – Self Assembly of Nanostructures Aided by Ion- or Photon-Beam Irradiation—Fundamentals and Applications  

Editors : R. Kalyanaraman, U. Valbursa, Z. Zhang

Articles

Laser Irradiation of Atomic Chains: A Show-Case Study Based on the Density Functional Theory

2006 MRS Fall Meeting.

Anna M. Mazzonea1 and Marco Bianconia2

a1 mazzone@bo.imm.cnr.it, CNR, IMM sezione di Bologna, Via Gobetti 101, Bologna, 40 129, Italy

a2 bianconi@bo.imm.cnr.it, CNR, IMM Sezione di Bologna, via Gobetti 101, Bologna, 40129, Italy

ABSTRACT

This study is motivated by recent applications of short laser pulses to the manipulation of atomic structures at the atomic scale and is based on the Density Functional Theory. The structures considered are linear monoatomic chains, formed by covalent and metallic atoms, and the calculations illustrate their evolution under laser irradiation. The calaculations show that the modification of the chain structure spans from a slight relaxation of the interatomic distances to fragmentation and illustrate the times and energies needed to induce those changes.

(Received February 01 2007)

(Accepted March 12 2007)

Key Words

  • electronic structure;
  • laser;
  • simulation
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