ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
We present early results from the CHANNEL code, which simulates the passage of ionized projectiles through bulk solids. CHANNEL solves the classical equations of motion for the projectile using a force obtained from the gradient of the quantum mechanically derived coulombic potential of the solid [determined via a full potential augmented plane wave (FLAPW) calculation on the bulk] and a quantum mechanical energy dissipation term, the stopping power, as determined from the method of Echenique, Nieminen, and Ritchie. The code then generates the trajectory of the ionic projectile for a given incident position on the unit cell face and an initial velocity. We use CHANNEL to generate an ion (proton) implantation profile for the test case of simple cubic hydrogen with the projectile's initial velocity parallel to the 〈100〉 channel. Further preliminary results for ion implantation profiles of protons in diamond structured Si, with initial velocity along the 〈100〉 and 〈110〉 channels, are given. © 1994 John Wiley & Sons, Inc.
Additional Material:
9 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560520830
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