HL 56: Electronic-Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond - IV
Wednesday, March 22, 2017, 10:30–13:00, GER 38
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10:30 |
HL 56.1 |
Invited Talk:
Electronic excitations in 2D materials and heterostructures — •Kristian Sommer Thygesen
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11:00 |
HL 56.2 |
Charge and energy transport at the nanoscale: A DFT perspective — •Florian G. Eich, Fabio Covito, and Angel Rubio
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11:15 |
HL 56.3 |
Conductance of aromatic and antiaromatic molecular circuits — Narendra P. Arasu and •Héctor Vázquez
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11:30 |
HL 56.4 |
Current-induced cooling of Carbene-based molecular junctions: role of electrodes structure — •Giuseppe Foti and Héctor Vázquez
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11:45 |
HL 56.5 |
DFTB-based recursive Green’s function algorithms for electron transport in quasi-1D systems — •Fabian Teichert, Andreas Zienert, Jörg Schuster, and Michael Schreiber
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12:00 |
HL 56.6 |
Conditions for formation of two-dimensional electron gas at the LaFeO3/SrTiO3 — •Igor Maznichenko, Sergey Ostanin, Arthur Ernst, Ingrid Mertig, Katayoon Mohseni, Holger L. Meyerheim, Eberhard K.U. Gross, Pengfa Xu, Wei Han, Philip M. Rice, Jaewoo Jeong, Mahesh G. Samant, and Stuart S.P. Parkin
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12:15 |
HL 56.7 |
Thermal Renormalization of the Electronic Structure: Trends across Chemical and Structural Space — •Honghui Shang, Christian Carbogno, Patrick Rinke, and Matthias Scheffler
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12:30 |
HL 56.8 |
Spin-wave excitations and electron-magnon scattering from many-body perturbation theory — •Mathias C.T.D. Müller, Christoph Friedrich, and Stefan Blügel
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12:45 |
HL 56.9 |
Charged supercells revised: Small Polarons in Oxides with proper account for long-range polarization — •Sebastian Kokott, Sergey V. Levchenko, and Matthias Scheffler
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