Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism
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)]; …
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 …
textbook models of Peierls instabilities and collective excitations in 1D electronic systems …
Further developments in the local-orbital density-functional-theory tight-binding method
Abstract Improvements to the Sankey-Niklewaki method [OF Sankey and DJ Niklewski,
Phys. Rev. B 40, 3979 (1989)] for computing total energies and forces, within an ab initio …
Phys. Rev. B 40, 3979 (1989)] for computing total energies and forces, within an ab initio …
Long-Range Coulomb Interactions in Surface Systems: A First-Principles Description within Self-Consistently Combined and Dynamical Mean-Field Theory
Systems of adatoms on semiconductor surfaces display competing ground states and exotic
spectral properties typical of two-dimensional correlated electron materials which are …
spectral properties typical of two-dimensional correlated electron materials which are …
Band splitting for Si (557)-Au: Is it spin-charge separation?
R Losio, KN Altmann, A Kirakosian, JL Lin… - Physical Review Letters, 2001 - APS
It has been proposed that the Si (557)-Au surface exhibits spin-charge separation in a one-
dimensional electron liquid. Two narrowly spaced bands are found which exhibit a well …
dimensional electron liquid. Two narrowly spaced bands are found which exhibit a well …
Doping-dependent charge-and spin-density wave orderings in a monolayer of Pb adatoms on Si (111)
In this work we computed the phase diagram as a function of temperature and doping for a
system of lead adatoms allocated periodically on a silicon (111) surface. This Si (111): Pb …
system of lead adatoms allocated periodically on a silicon (111) surface. This Si (111): Pb …
Superconductivity in a hole-doped Mott-insulating triangular adatom layer on a silicon surface
X Wu, F Ming, TS Smith, G Liu, F Ye, K Wang… - Physical Review Letters, 2020 - APS
Adsorption of one-third monolayer of Sn on an atomically clean Si (111) substrate produces
a two-dimensional triangular adatom lattice with one unpaired electron per site. This dilute …
a two-dimensional triangular adatom lattice with one unpaired electron per site. This dilute …
Soft Phonon, Dynamical Fluctuations, and a Reversible Phase Transition:<? format?> Indium Chains on Silicon
The In/Si (111)-(4× 1) surface is a paradigmatic example of a quasi-one-dimensional system
showing a reversible structural and electronic (metal-insulator) phase transition when the …
showing a reversible structural and electronic (metal-insulator) phase transition when the …
Fermi surface of
R Losio, KN Altmann, FJ Himpsel - Physical Review B, 2000 - APS
Surface states at the Si (111) 7× 7 surface are mapped by angle-resolved photoemission
with E, ϑ multidetection. The adatom states near the Fermi level form a well-defined, two …
with E, ϑ multidetection. The adatom states near the Fermi level form a well-defined, two …
Electronic structure of atomic chains on vicinal Si (111)-Au
KN Altmann, JN Crain, A Kirakosian, JL Lin… - Physical Review B, 2001 - APS
Unusual electronic states are found for gold-induced chain and ladder structures on vicinal
Si (111) surfaces, such as Si (111) 5× 2− Au and Si (557)-Au. As two-dimensional reference …
Si (111) surfaces, such as Si (111) 5× 2− Au and Si (557)-Au. As two-dimensional reference …