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Concept

Crystal field theory

Related publications (33)

Well-Defined Ti Surface Sites in Ziegler-Natta Pre-Catalysts from 47/49Ti Solid-State Nuclear Magnetic Resonance Spectroscopy

Pierrick Berruyer

Treatment of Ziegler-Natta (ZN) catalysts with BCl3 improves their activity by increasing the number of active sites. Here we show how Ti-47/49 solid-state nuclear magnetic resonance (NMR) spectroscopy enables us to understand the electronic structure of t ...

Amer Chemical Soc2024

Can dd excitations mediate pairing?

Francesco Barantani, Christophe Berthod

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 ...

Elsevier2023

Full Solution Process of a Near-Infrared Light-Emitting Electrochemical Cell Based on Novel Emissive Ruthenium Complexes of 1,10-Phenanthroline-Derived Ligands and a Eutectic Alloy as the Top Electrode

Mohammad Khaja Nazeeruddin

Near-infrared luminescent materials have recently received considerable attention for a large number of applications, including in solid-state lighting, as bioimaging agents, as photovoltaic cells, and in the telecommunication industry. By adding diverse e ...

AMER CHEMICAL SOC2023

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

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

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

Charge fluctuations in the intermediate-valence ground state of SmCoIn5

Nicola Colonna

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

Manufacture and performance test result of a 95 kA-class Nb-Ti cable-in-conduit conductor for the low field winding-package of CFETR-TF coil

Pierluigi Bruzzone, Kamil Sedlák, Yu Wu

The engineering design of the CFETR TF prototype coil and conductors has been completed. The wind-package (WP) of the coil is graded into three regions based on the magnetic field distribution for saving cost. High-Jc Nb3Sn strand, ITER-like Nb3Sn strand a ...

Elsevier2023

Large Orbital Moment of Two Coupled Spin-Half Co Ions in a Complex on Gold

Stefano Rusponi, Chao Li, Boris Sorokin

The magnetic propertiesof transition-metal ions aregenerallydescribed by the atomic spins of the ions and their exchange coupling.The orbital moment, usually largely quenched due the ligand field,is then seen as a perturbation. In such a scheme, S = 1/2 io ...

AMER CHEMICAL SOC2023

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

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

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

Interfacial Inversion, Interference, and IR Absorption in Vibrational Sum Frequency Scattering Experiments

Lei Zhang, Sylvie Roke, Saranya Pullanchery Sankara Narayanan, Sergey Kulik

Molecular interfacial structure greatly determines thepropertiesof nano- and microscale systems. Vibrational sum frequency scattering(SFS) spectroscopy is a unique interface-selective tool to measurethe interfacial vibrational spectrum of sub-micron to mic ...

AMER CHEMICAL SOC2023

Improvements in Resolution of 1H NMR of Solids

David Lyndon Emsley, Bruno Simões de Almeida

Magic angle spinning (MAS) in 1H NMR has allowed progress from featureless spectra in static samples to linewidths of a few hundreds of Hertz for powdered solids at the fastest spinning rates available today (100-150 kHz). While this is a remarkable improv ...

SWISS CHEMICAL SOC2023

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

Optical spectroscopy of earth-abundant zinc pnictides for photovoltaics

Elias Zsolt Stutz

Zinc phosphide (Zn3P2) is an earth-abundant semiconductor with promising properties for applications as an absorber in photovoltaics. To beat the 40 years old record power conversion efficiency of solar cells made with this material, a deep understanding o ...

EPFL2022

Precise determination of the low-energy electronuclear Hamiltonian of LiY1-xHoxF4

Sandrine Gerber, Gabriel Aeppli, Michael Müller

The insulating rare-earth magnet LiY1-xHoxF4 has received great attention because a laboratory field applied perpendicular to its crystallographic c axis converts the low-energy electronic spin Hamiltonian into the (dilute) transverse field Ising model. Th ...

2022

Topological aspects of non-centrosymmetric magnets

Priya Ranjan Baral

The concept of chirality has been influencing many branches of physics for centuries. On the other hand, study of topology and related concepts have recently been introduced to the physics community. Exotic quasiparticles, such as magnetic skyrmions emerge ...

EPFL2022

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Oleg Yazyev

Computing the GW quasiparticle band structure and Bethe-Salpeter equation (BSE) absorption spectra for materials with spin-orbit coupling have commonly been done by treating GW corrections and spin-orbit coupling (SOC) as separate perturbations to density- ...

AMER PHYSICAL SOC2022

Resonant Inelastic X-ray Scattering Studies of Low-Dimensional and Frustrated 3d Transition-Metal Oxides

Yi Tseng

3d transition-metal oxide materials with strong electron correlations and low dimensionality give rise to emerging exotic phases. Resonant inelastic X-ray scattering (RIXS) has developed as a powerful spectroscopic tool for probing the collective excitatio ...

EPFL2021

Coarse graining and large-N behavior of the d-dimensional N-clock model

Matthias Benjamin Ruf

We study the asymptotic behavior of the N-clock model, a nearest neighbors ferromagnetic spin model on the d-dimensional cubic epsilon-lattice in which the spin field is constrained to take values in a discretization S-N of the unit circle S-1 consisting o ...

2021

A Magic Angle Spinning Activated O-17 DNP Raser

David Lyndon Emsley, Michael Allan Hope, Snaedis Björgvinsdóttir

In the raser effect, a sample spontaneously emits continuous radiofrequency radiation, allowing exceptionally narrow NMR line widths to be recorded without applying pulses. To achieve this phenomenon, a large negative magnetization must be induced, which w ...

2021

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

Crystal electric field excitations in the quantum spin liquid candidate NaErS2

Daniel Biner, Christian Rüegg

The delafossite family of compounds with a triangular lattice of rare earth ions has been recently proposed as a candidate host for quantum spin liquid (QSL) states. To realize QSLs, the crystal electric field (CEF) ground state of the rare earth ions shou ...

AMER PHYSICAL SOC2020