Publications related to Spin states (d electrons)

Dynamic nuclear polarisation of 1H in Gd-doped In(OH)3

David Lyndon Emsley, Michael Allan Hope, Yuxuan Zhang, Amrit Venkatesh

Dynamic nuclear polarisation (DNP) of solids doped with high-spin metal ions, such as Gd3+, is a useful strategy to enhance the nuclear magnetic resonance (NMR) sensitivity for these samples. Spin diffusion can relay polarisation throughout a sample, which ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2023

Hybridization driving distortions and multiferroicity in rare-earth nickelates

Nicola Marzari, Iurii Timrov, Michele Kotiuga, Luca Binci

For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, RNiO3, stand out for their rich phase diagram stemming from complex couplings ...

College Pk2023

Can dd excitations mediate pairing?

Christophe Berthod, Francesco Barantani

The Cu-3d states in the high-T-c cuprates are often described as a single band of 3d(x2-y2) states, with the other four 3d states having about 2 to 3 eV higher energy due to the lower-than-octahedral crystal field at the copper sites. However, excitations ...

Amsterdam2023

Charge fluctuations in the intermediate-valence ground state of SmCoIn5

Nicola Colonna, Vladimir N. Strocov, Neeraj Kumar

The microscopic mechanism of heavy band formation, relevant for unconventional superconductivity in CeCoIn5 and other Ce-based heavy fermion materials, depends strongly on the efficiency with which f electrons are delocalized from the rare earth sites and ...

NATURE PORTFOLIO2023

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

David Lyndon Emsley, Michael Allan Hope, Dominik Józef Kubicki, Gabriele Stevanato, Aditya Mishra

The intrinsic low sensitivity of nuclear magnetic resonance (NMR) experiments limits their utility for structure determination of materials. Dynamic nuclear polarization (DNP) under magic angle spinning (MAS) has shown tremendous potential to overcome this ...

2023

A Mesoionic Diselenolene Anion and the Corresponding Radical Dianion

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Andrzej Sienkiewicz, Abdusalom Suleymanov, Zhaowen Dong, Cesare Berton

Dichalcogenolenes are archetypal redox non-innocent ligands with numerous applications. Herein, we describe a diselenolene ligand with fundamentally different electronic properties. By selenation of a C2-protected imidazolium salt, we have prepared a mesoi ...

2022

Ultrafast X-ray Spectroscopy of Haem Proteins

Majed Chergui, Camila Bacellar Cases Da Silveira

In this article we revisit our recent picosecond and femtosecond X-ray absorption spectroscopy (XAS) and X-ray emission spectroscopy (XES) experiments, probing the ultrafast electronic and geometric evolution of photoexcited haem proteins, namely ferrous N ...

SWISS CHEMICAL SOC2022

Stabilization of high-spin Mn ions in tetra-pyrrolic configuration on copper

Magalí Alejandra Lingenfelder

By means of Mn-Cu transmetalation, we incorporated Mn atoms in an array of TCNQ (7,7,8,8-tetracyanoquinodimethane) grown on Cu(100), forming a long range ordered and commensurate metal-organic coordination network (MOCN). Preliminary Sn alloying of the Cu( ...

ELSEVIER2021

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Spin states (d electrons)

Dynamic nuclear polarisation of 1H in Gd-doped In(OH)3

Hybridization driving distortions and multiferroicity in rare-earth nickelates

Can dd excitations mediate pairing?

Charge fluctuations in the intermediate-valence ground state of SmCoIn5

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

A Mesoionic Diselenolene Anion and the Corresponding Radical Dianion

Pivotal Role of Intersite Hubbard Interactions in Fe-Doped alpha-MnO2

Ultrafast X-ray Spectroscopy of Haem Proteins

Stabilization of high-spin Mn ions in tetra-pyrrolic configuration on copper

Weakness of Correlation Effect Manifestation in BaNi2As2: An ARPES and LDA plus DMFT Study

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Can dd excitations mediate pairing?

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

Ultrafast X-ray Spectroscopy of Haem Proteins

Hybridization driving distortions and multiferroicity in rare-earth nickelates

Dynamic nuclear polarisation of 1H in Gd-doped In(OH)3

Charge fluctuations in the intermediate-valence ground state of SmCoIn5

A Mesoionic Diselenolene Anion and the Corresponding Radical Dianion

Pivotal Role of Intersite Hubbard Interactions in Fe-Doped alpha-MnO2

Stabilization of high-spin Mn ions in tetra-pyrrolic configuration on copper

Weakness of Correlation Effect Manifestation in BaNi2As2: An ARPES and LDA plus DMFT Study