turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
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Nuclear magnetic resonance (NMR) was discovered in the first half of the 20th century. Today, neither analytical chemistry without NMR spectroscopy nor medical diagnostics without magnetic resonance imaging (MRI) could be imagined. A magnetic resonance sig ...
In this work, we derive a method to perform trajectory-based nonadiabatic dynamics that is able to describe both nonadiabatic transitions and intersystem crossing events (transitions between states of different spin-multiplicity) at the same level of theor ...
The magnetic excitation spectrum in the bilayer iridate Sr3Ir2O7 has been investigated using high-resolution resonant inelastic x-ray scattering (RIXS) performed at the iridium L-3 edge and theoretical techniques. A study of the systematic dependence of th ...
We present a general simulation framework for assessing the performance of nanoscale devices that combines several powerful and widely used open-source codes, and based on minimal but chemically accurate tight-binding Hamiltonians obtained from density-fun ...
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Dynamic nuclear polarisation (DNP) has been used to obtain magic angle spinning (NOT)-N-14 (nitrogen-14 overtone) solid-state NMR spectra from several model amino acids, with both direct and indirect observation of the (NOT)-N-14 signal. The crystalline so ...
Nanoscale magnets might form the building blocks of next generation memories. To explore their functionality, magnetic sensing at the nanoscale is key. We present a multifunctional combination of a nanometer-sized superconducting quantum interference devic ...
We report the structural transformation of hexagonal Ba3YIr2O9 to a cubic double perovskite form (stable in ambient conditions) under an applied pressure of 8 GPa at 1273 K. While the ambient pressure synthesized sample undergoes long-range magnetic orderi ...
We report the structural transformation of hexagonal Ba3YIr 2O9 to a cubic double perovskite form (stable in ambient conditions) under an applied pressure of 8 GPa at 1273 K. While the ambient pressure synthesized sample undergoes long-range magnetic order ...
The quasi-equilibrium behaviour of isolated nuclear spin systems in full and reduced Liouville spaces is discussed. We focus in particular on the reduced Liouville spaces used in the low-order correlations in Liouville space (LCL) simulation method, a rest ...