Concept

Crystal field theory

Related publications (33)

Optical absorption properties of metal-organic frameworks: solid stateversusmolecular perspective

Berend Smit, Anne-Clémence Corminboeuf, Ivano Tavernelli, Maria Fumanal Quintana

The vast chemical space of metal and ligand combinations in Transition Metal Complexes (TMCs) gives rise to a rich variety of electronic excited states with local and non-local character such as intra-ligand (IL), metal-centered (MC), metal-to-ligand (MLCT ...

2020

Imaginary Multiplicative Chaos: Moments, Regularity And Connections To The Ising Model

Janne Matias Junnila

In this article we study imaginary Gaussian multiplicative chaos-namely a family of random generalized functions which can formally be written as e(iX(x)), where X is a log-correlated real-valued Gaussian field on R-d, that is, it has a logarithmic singula ...

INST MATHEMATICAL STATISTICS2020

Unconventional Spin Relaxation Involving Localized Vibrational Modes in Ho Single-Atom Magnets

Harald Brune, Stefano Rusponi, Marina Pivetta, Jan Gui-Hyon Dreiser, Pietro Gambardella, Fabio Donati, Christian Wäckerlin, Aparajita Singha, Romana Baltic, Katharina Johanna Diller

We investigate the spin relaxation of Ho single atom magnets on MgO/Ag(100) as a function of temperature and magnetic field. We find that the spin relaxation is thermally activated at low field, while it remains larger than 1000 s up to 30 K and 8 T. This ...

AMER PHYSICAL SOC2020

Moire Flat Bands in Twisted Double Bilayer Graphene

Oleg Yazyev, Quansheng Wu, Seyedeh Fatemeh Haddadi Givi

We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable energy gap at the c ...

AMER CHEMICAL SOC2020

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Oleg Yazyev, Diego José Pasquier

Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...

IOP PUBLISHING LTD2019

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Simulation of microoptics under inhomogeneous illumination: Sinusoidal Phase Grating under Gaussian Beam Illumination

Toralf Scharf, Maryam Yousefi

Far field pattern generation is investigated for thick sinusoidal phase grating under a Gaussian beam illumination to obtain a high field of view. We compare the Fraunhofer approximation with the High-NA propagator and demonstrate that the Fraunhofer appro ...

IEEE2019

The Diverse Nature of Ion Speciation at the Nanoscale Hydrophobic/Water Interface

Sylvie Roke, Halil Ibrahim Okur, Evangelia Zdrali

Many biological systems are composed of nanoscale structures having hydrophobic and hydrophilic groups adjacent to one another and in contact with aqueous electrolyte solution. The interaction of ions with such structures is of fundamental importance. Alth ...

AMER CHEMICAL SOC2019

Magnetic Stability of Single Lanthanide Atoms on Graphene

Romana Baltic

This thesis presents a study of the magnetism of surface supported atoms performed principally with XMCD spectroscopy and multiplet calculations. The objective of the research was twofold: first, to study the underlying interactions and conditions governi ...

EPFL2018

Walking, weak first-order transitions, and complex CFTs

Bernardo Zan, Victor Gorbenko

We discuss walking behavior in gauge theories and weak first-order phase transitions in statistical physics. Despite appearing in very different systems (QCD below the conformal window, the Potts model, deconfined criticality) these two phenomena both impl ...

Springer Nature2018

Walking, Weak first-order transitions, and Complex CFTs II. Two-dimensional Potts model at Q > 4

Bernardo Zan, Victor Gorbenko

We study complex CFTs describing fixed points of the two-dimensional Q-state Potts model with Q > 4. Their existence is closely related to the weak first-order phase transition and the "walking" renormalization group (RG) behavior present in the real Potts ...

2018

Understanding Digestive Ripening of Ligand-Stabilized, Charged Metal Nanoparticles

Hubert Girault, Pekka Eero Peljo

Most syntheses of thiolate-protected metal nanoparticles (NPs) include a thermochemical step in which the as-prepared, polydisperse NPs are transformed to a narrower size distribution in a poorly understood process known as digestive ripening (DR). Previou ...

American Chemical Society2017

Resolving the spin splitting in the conduction band of monolayer MoS2

Andras Kis, Ahmet Avsar, Kolyo Marinov

Time-reversal symmetry and broken spin degeneracy enable the exploration of spin and valley quantum degrees of freedom in monolayer transition-metal dichalcogenides. While the strength of the large spin splitting in the valance band of these materials is n ...

Nature Publishing Group2017