This title appears in the Scientific Report :
2015
Please use the identifier:
http://hdl.handle.net/2128/9290 in citations.
Classifying Skewed Lattices for Quantum Cluster Calculations
Classifying Skewed Lattices for Quantum Cluster Calculations
Practical calculations for infinite lattices are limited to finite systems, usually supercells with periodic boundary conditions. We intend to study such supercells by systematically enumerating all inequivalent choices of a given size using the Hermite normal form. Using the symmetries of the under...
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Personal Name(s): | Gustiani, Cica (Corresponding author) |
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Contributing Institute: |
GRS; GRS |
Imprint: |
2015
|
Physical Description: |
69 p. |
Dissertation Note: |
RWTH Aachen, Masterarbeit, 2015 |
Document Type: |
Master Thesis |
Research Program: |
Computational Science and Mathematical Methods |
Subject (ZB): | |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Practical calculations for infinite lattices are limited to finite systems, usually supercells with periodic boundary conditions. We intend to study such supercells by systematically enumerating all inequivalent choices of a given size using the Hermite normal form. Using the symmetries of the underlying lattice, we eliminate supercells that are equivalent by symmetry. With the help of integer-matrix methods like the Lenstra-Lenstra-Lováz (LLL) algorithm, we reduce a given basis to its most compact form and analyze its properties using the criteria given by Betts and collaborators. We finally turn to the properties in k-space and investigate the tight-binding states on the clusters using periodic, antiperiodic, and open boundary conditions. |