Concept

Orbital hybridisation

Related publications (152)

Sub-Kelvin stereodynamics of the Ne(3P2)+N2 reaction

Andreas Osterwalder, Sean Dennis Steven Gordon, Junwen Zou

We present an experimental study of the low-energy stereodynamics of the Ne(3P2)+N2 reaction. Supersonic expansions of the two reactants are superposed in a merged beam experiment, where individual velocity control of the two beams allows us to reach avera ...

AMER PHYSICAL SOC2019

X-ray absorption linear dichroism at the Ti K edge of anatase TiO2 single crystals

Majed Chergui, Oliviero Cannelli, Giulia Fulvia Mancini, Thomas Charles Henry Rossi, Camila Bacellar Cases Da Silveira, Dominik Kinschel, Jérémy Raymond Jean Maurice Rouxel

Anatase TiO2 (a-TiO2) exhibits a strong x-ray absorption linear dichroism in the pre-edge, the XANES and the EXAFS at the titanium K edge. In the pre-edge region, the behavior of the A1-A3 and B peaks originating from the 1s - 3d transitions is due to the ...

AMER PHYSICAL SOC2019

Electronic localization in CaVO3 films via bandwidth control

Thorsten Schmitt, Vladimir N. Strocov, Xingye Lu, Sophie Beck

Understanding and controlling the electronic structure of thin layers of quantum materials is a crucial first step towards designing heterostructures where new phases and phenomena, including the metal-insulator transition (MIT), emerge. Here, we demonstra ...

Springer2019

Orbitally selective breakdown of Fermi liquid quasiparticles in Ca1.8Sr0.2RuO4

Marco Grioni, Johan Juul Chang, Gianmarco Gatti

We present a comprehensive angle-resolved photoemission spectroscopy study of Ca1.8Sr0.2RuO4. Four distinct bands are revealed and along the Ru-O bond direction their orbital characters are identified through a light polarization analysis and comparison to ...

AMER PHYSICAL SOC2019

Ultrafast Broadband Fluorescence Up-conversion Study of the Electronic Relaxation of Metalloporphyrins

Majed Chergui, Andrea Cannizzo, Olivier Christian Bräm

We present a systematic study of the ultrafast fluorescence with broadband detection and similar to 110 fs resolution of 5,10,15,20-tetraphenylporphin (TPP) and 2,3,7,8,12,13,17,18-oc-taethylporphin (OEP), with open 3d-shell metals. We also revisit the cas ...

AMER CHEMICAL SOC2019

Koopmans-Compliant Functionals and Potentials and Their Application to the GW100 Test Set

Nicola Marzari, Nicola Colonna, Ngoc Linh Nguyen, Andrea Ferretti

Koopmans-compliant (KC) functionals have been shown to provide accurate spectral properties through a generalized condition of piecewise linearity of the total energy as a function of the fractional addition/removal of an electron to/from any orbital. We a ...

AMER CHEMICAL SOC2019

Scaling of the superconducting gap with orbital character in FeSe

Timur Kim

We use high-resolution angle-resolved photoemission spectroscopy to map the three-dimensional momentum dependence of the superconducting gap in FeSe. We find that on both the hole and electron Fermi surfaces, the magnitude of the gap follows the distributi ...

2018

Auger-induced charge migration

Christoph Bostedt

Novel perspectives of controlling molecular systems have recently arisen from the possibility of generating attosecond pulses in the ultraviolet regime and tailoring electron dynamics in its natural time scale. The cornerstone mechanism is the so-called ch ...

2018

Emergent magnetic anisotropy in the cubic heavy-fermion metal CeIn3

Philip Johannes Walter Moll

Metals containing cerium exhibit a diverse range of fascinating phenomena including heavy fermion behavior, quantum criticality, and novel states of matter such as unconventional superconductivity. The cubic system CeIn3 has attracted significant attention ...

2017

Adsorption and electronic properties of pentacene on thin dielectric decoupling layers

Klaus Kern, Uta Schlickum, Alexander Kabakchiev, Daniel Pablo Rosenblatt, Sebastian Koslowski

With the increasing use of thin dielectric decoupling layers to study the electronic properties of organic molecules on metal surfaces, comparative studies are needed in order to generalize findings and formulate practical rules. In this paper we study the ...

Beilstein Institut2017

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