Publications related to Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain: Antiferromagnetism in K-Doped p-Terphenyl

Related publications (6)

Murunskite - a new class of functional material

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

EPFL2023

Invariance principles in the theory and computation of transport coefficients

Federico Grasselli

In this work, we elaborate on two recently discovered invariance principles, according to which transport coefficients are, to a large extent, independent of the microscopic definition of the densities and currents of the conserved quantities being transpo ...

2021

Self-consistent DFT

Nicola Marzari, Iurii Timrov, Matteo Cococcioni

Contradictory theoretical results for oxygen vacancies in SrTiO3 (STO) were often related to the peculiar properties of STO, which is a d(0) transition metal oxide with mixed ionic-covalent bonding. Here, we apply, for the first time, density functional th ...

AMER PHYSICAL SOC2020

Band Gap of Atomically Precise Graphene Nanoribbons as a Function of Ribbon Length and Termination

Christoph Leopold Talirz

We study the band gap of finite NA=7 armchair graphene nanoribbons (7-AGNRs) on Au(111) through scanning tunneling microscopy/spectroscopy combined with density functional theory calculations. The band gap of 7-AGNRs with lengths of 8 nm and more is conver ...

WILEY-V C H VERLAG GMBH2019

High-Precision Performance Estimation of Dynamic Dataflow Programs

Marco Mattavelli, Simone Casale Brunet, Endri Bezati, Malgorzata Maria Michalska

An important challenge for a dataflow designer is to efficiently explore the design space in order to find a set of configurations that satisfy the defined objective function. The exploration directions may involve the partitioning, scheduling and buffer d ...

2016

Magnetic order dynamics in optically excited multiferroic TbMnO3

Christoph Peter Hauri

We performed ultrafast time-resolved near-infrared pump, resonant soft x-ray diffraction probe measurements to investigate the coupling between the photoexcited electronic system and the spin cycloid magnetic order in multiferroic TbMnO3 at low temperature ...

Amer Physical Soc2015