Molecular-dynamics approach to lattice-relaxation effects on deep levels in semiconductors

1991 ◽  
Vol 43 (12) ◽  
pp. 9947-9950 ◽  
Author(s):  
Wei-Gang Li ◽  
Charles W. Myles
Keyword(s):  
Molecular Dynamics ◽  
Lattice Relaxation ◽  
Deep Levels ◽  
Relaxation Effects

Proton NMR Study of Molecular Dynamics in Hydrazinium Perchlorate

1990 ◽  
Vol 45 (2) ◽  
pp. 102-106
Author(s):  
K. Ganesan ◽  
R. Damle ◽  
J. Ramakrishna
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Time ◽  
Lattice Relaxation ◽  
Lattice Relaxation Time ◽  
Proton Spin ◽  
Spin Lattice Relaxation ◽  
Temperature Minimum ◽  
Second Moment ◽  
Spin Lattice ◽  
Nmr Study

AbstractThe proton spin-lattice relaxation time T1 (at 5.4, 10 and 15 MHz) and second moment M2 (at 9.8 MHz) have been measured in hydrazinium Perchlorate (N2H5ClO4). The temperature dependence of T, shows two minima. The low temperature T, minimum has been explained in terms of NH3 reorientation about the N-N axis while the high temperature minimum is attributed to the exchange of protons within the NH2 group (180° flip about the H - N - H bisectrix). The activation energies for NH3 and NH: motions are found to be 20.5 kJ mol-1 and 39.8 kJ mol-1 , respectively. The second moment variation with temperature shows two transitions around 120 K and 210 K and has been discussed in terms of NH3/NH2 motions.

Deep-level wave functions including lattice-relaxation effects

1993 ◽  
Vol 47 (8) ◽  
pp. 4281-4288 ◽  
Author(s):  
Wei-Gang Li ◽  
Charles W. Myles
Keyword(s):  
Deep Level ◽  
Lattice Relaxation ◽  
Wave Functions ◽  
Relaxation Effects

Molecular Dynamics Simulations of Hot Electrons and Lattice Relaxation in Realistic Cascade Volumes

1992 ◽  
Vol 278 ◽  
Author(s):  
A.M. Mazzone
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Classical Mechanics ◽  
Lattice Relaxation ◽  
Simulation Method ◽  
High Energy ◽  
Hot Electrons ◽  
Dynamics Simulation ◽  
Dynamics Simulations

AbstractThis work presents a molecular dynamics simulation method designed to describe the processes of electron and lattice relaxation taking place in typical cascade volumes formed by high-energy implants. The simulation method is based on classical mechanics and includes the motions of electrons and nuclei. The results are in agreement with experiments.

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