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| 024 | 7 | _ | |a 10.1103/PhysRevLett.118.086101 |2 doi |
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| 100 | 1 | _ | |a Borghardt, Sven |0 P:(DE-Juel1)164287 |b 0 |e Corresponding author |
| 245 | _ | _ | |a Quantitative agreement between electron-optical phase images of WSe2 and simulations based on electrostatic potentials that include bonding effects |
| 260 | _ | _ | |a College Park, Md. |c 2017 |b APS |
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| 520 | _ | _ | |a The quantitative analysis of electron-optical phase images recorded using off-axis electron holography often relies on the use of computer simulations of electron propagation through a sample. However, simulations that make use of the independent atom approximation are known to overestimate experimental phase shifts by approximately 10%, as they neglect bonding effects. Here, we compare experimental and simulated phase images for few-layer WSe2. We show that a combination of pseudopotentials and all-electron density functional theory calculations can be used to obtain accurate mean electron phases, as well as improved atomic-resolution spatial distribution of the electron phase. The comparison demonstrates a perfect contrast match between experimental and simulated atomic-resolution phase images for a sample of precisely known thickness. The low computational cost of this approach makes it suitable for the analysis of large electronic systems, including defects, substitutional atoms, and material interfaces. |
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| 536 | _ | _ | |a First principle calculations of transition metal dichalcogenides for spin-optoelectronics (jpgi90_20150501) |0 G:(DE-Juel1)jpgi90_20150501 |c jpgi90_20150501 |f First principle calculations of transition metal dichalcogenides for spin-optoelectronics |x 1 |
| 536 | _ | _ | |a Novel materials for nanoelectronics and spintronics: first principle investigation. (jias16_20141101) |0 G:(DE-Juel1)jias16_20141101 |c jias16_20141101 |f Novel materials for nanoelectronics and spintronics: first principle investigation. |x 2 |
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| 773 | _ | _ | |a 10.1103/PhysRevLett.118.086101 |g Vol. 118, no. 8, p. 086101 |0 PERI:(DE-600)1472655-5 |n 8 |p 086101 |t Physical review letters |v 118 |y 2017 |x 1079-7114 |
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