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| Author | Lobato, I.; van Dyck, D. | ||||
| Title | Improved multislice calculations for including higher-order Laue zones effects | Type | A1 Journal article | ||
Year  |
2012 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 119 | Issue | Pages | 63-71 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | A new method for including higher-order Laue zones (HOLZs) effects in an efficient way in electron scattering simulations has been developed and tested by detail calculations. The calculated results by the conventional multislice (CMS) method and the improved conventional multislice (ICMS) method using a large dynamical aperture to avoid numerical errors are compared with accurate results. We have found that the zero-order Laue zones (ZOLZs) reflection cannot be properly described only using the projected potential in the whole unit cell; in general, we need to subslice the electrostatic potential inside the unit cell. It is shown that the ICMS method has higher accuracy than the CMS method for the calculation of the ZOLZ, HOLZ and Pseudo-HOLZ reflections. Hence, ICMS method allows to use a larger slice thickness than the CMS method and reduces the calculation time. (C) 2012 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000308079200011 | Publication Date | 2012-01-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.843 | Times cited | 6 | Open Access | |
| Notes | Approved | Most recent IF: 2.843; 2012 IF: 2.470 | |||
| Call Number | UA @ lucian @ c:irua:101902 | Serial | 1567 | ||
| Permanent link to this record | |||||
| Author | Lobato, I.; Partoens, B. | ||||
| Title | Multiple Dirac particles in AA-stacked graphite and multilayers of graphene | Type | A1 Journal article | ||
| Year |
2011 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 83 | Issue | 16 | Pages | 165429-165429,9 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Using the tight-binding formalism we show that in the recently experimentally realized AA-stacked graphite in essence two types of massless relativistic Dirac particles are present with a different effective speed of light. We also investigate how the electronic structure evolves from a single graphene sheet into AA-stacked graphite. It is shown that in contrast to AB-stacked graphene layers, the spectrum of AA-stacked graphene layers can be considered as a superposition of single-layer spectra and only particles with a linear spectrum at the Fermi energy around the K point are present. From the evolution of the band overlap we show that 6 multilayers of AA-stacked graphene already behave as AA-stacked graphite. The evolution of the effective speeds of light of the Dirac particles to their bulk values shows exactly the same behavior. The tight-binding parameters we use to describe AA-stacked graphite and multilayers of graphene are obtained by ab initio calculations. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000290113900005 | Publication Date | 2011-04-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 68 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.836; 2011 IF: 3.691 | ||
| Call Number | UA @ lucian @ c:irua:89717 | Serial | 2225 | ||
| Permanent link to this record | |||||