Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism

JP Lewis, P Jelínek, J Ortega, AA Demkov… - … status solidi (b), 2011 - Wiley Online Library
One of the outstanding advancements in electronic‐structure density‐functional methods is
the Sankey–Niklewski (SN) approach [Sankey and Niklewski, Phys. Rev. B 40, 3979 (1989)]; …

Colloquium: Electronic instabilities in self-assembled atom wires

PC Snijders, HH Weitering - Reviews of Modern Physics, 2010 - APS
Many quasi-one-dimensional (1D) materials are experimental approximations to the
textbook models of Peierls instabilities and collective excitations in 1D electronic systems …

Circular dichroism of emergent chiral stacking orders in quasi-one-dimensional charge density waves

SW Kim, HJ Kim, S Cheon, TH Kim - Physical Review Letters, 2022 - APS
Chirality-driven optical properties in charge density waves are of fundamental and practical
importance. Here, we investigate the interaction between circularly polarized light and …

Optically excited structural transition in atomic wires on surfaces at the quantum limit

T Frigge, B Hafke, T Witte, B Krenzer, C Streubühr… - Nature, 2017 - nature.com
Transient control over the atomic potential-energy landscapes of solids could lead to new
states of matter and to quantum control of nuclear motion on the timescale of lattice …

[HTML][HTML] Atomic wires on substrates: Physics between one and two dimensions

H Pfnür, C Tegenkamp, S Sanna, E Jeckelmann… - Surface Science …, 2024 - Elsevier
Wires having a width of one or two atoms are the smallest possible physical objects that may
exhibit one-dimensional properties. In order to be experimentally accessible at finite …

Entropy explains metal-insulator transition of the Si (111)-In nanowire array

S Wippermann, WG Schmidt - Physical review letters, 2010 - APS
Density functional theory calculations are performed to determine the mechanism and origin
of the intensively debated (4× 1)–(8× 2) phase transition of the Si (111)-In nanowire array …

Atomistic picture of charge density wave formation at surfaces

S Wall, B Krenzer, S Wippermann, S Sanna, F Klasing… - Physical review …, 2012 - APS
We used ultrafast electron diffraction and density-functional theory calculations to gain
insight into the charge density wave (CDW) formation on In/Si (111). Weak excitation by a …

[HTML][HTML] Structural dynamics in atomic indium wires on silicon: From ultrafast probing to coherent vibrational control

JG Horstmann, H Böckmann, F Kurtz, G Storeck… - Progress in Surface …, 2024 - Elsevier
Light-control of structural dynamics at surfaces promises switching of chemical and physical
functionality at rates limited only by the velocity of directed atomic motion. Following optical …

Origin of immediate dam** of coherent oscillations in photoinduced charge-density-wave transition

WH Liu, YX Gu, Z Wang, SS Li, LW Wang, JW Luo - Physical Review Letters, 2023 - APS
In stark contrast to the conventional charge density wave (CDW) materials, the one-
dimensional CDW on the In/Si (111) surface exhibits immediate dam** of the CDW …

Charge-order fluctuations in one-dimensional silicides

C Zeng, PRC Kent, TH Kim, AP Li, HH Weitering - Nature materials, 2008 - nature.com
Metallic nanowires are of great interest as interconnects in nanoelectronic devices. They
also represent important systems for understanding the complexity of electronic interactions …