Publications associées à First-principles theory of infrared vibrational spectroscopy of metals and semimetals: Application to graphite

Publications associées (17)

Rapid prediction of phonon density of states by crystal attention graph neural network and high-throughput screening of candidate substrates for wide bandgap electronic cooling

Machine learning has demonstrated superior performance in predicting vast materials properties. However, predicting a spectral-like continuous material property such as phonon density of states (DOS) is more challenging for machine learning. In this work, ...

2025

Diagnosing weakly first-order phase transitions by coupling to order parameters

Jonathan D'Emidio

The hunt for exotic quantum phase transitions described by emergent fractionalized de-grees of freedom coupled to gauge fields requires a precise determination of the fixed point structure from the field theoretical side, and an extreme sensitivity to weak ...

2023

Crossing the ballistic-ohmic transition via high energy electron irradiation

Philip Johannes Walter Moll, Matthias Carsten Putzke

The delafossite metal PtCoO2 is among the highest-purity materials known, with low-temperature mean free path up to 5 mu m in the best as-grown single crystals. It exhibits a strongly faceted, nearly hexagonal Fermi surface. This property has profound cons ...

AMER PHYSICAL 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

Origin of metallic-like behavior in disordered carbon nano-onions

Oleg Yazyev, Kristians Cernevics

Carbon nano-onions are a class of nanomaterials that can exhibit long electron spin relaxation times at room temperature and thus hold promise as potential building blocks for spintronics and quantum information processing devices. Despite first being synt ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Special Issue: Smart Resilient Manufacturing

Dimitrios Kyritsis, Jinzhi Lu, Xiaochen Zheng

MDPI2023

Magnetic structure of the topological semimetal Co3Sn2S2

Henrik Moodysson Rønnow, Ivica Zivkovic, Jian Rui Soh

Co3Sn2S2 has recently been predicted to be a Weyl semimetal in which magnetic order is key to its behavior as a topological material. Here, we report unpolarized neutron diffraction and spherical neutron polarimetry measurements, supported by magnetization ...

AMER PHYSICAL SOC2022

An Inertial Uni-Axial Interferometer-Based Accelerometer for Harsh Environments

Gerard Aliana Cervera

For high-impact devices, subsequent vibrations have as much influence on the deterioration of the mechanical structure as the impact itself. To mitigate the consequences of both impacts and resulting vibrations, it is crucial to accurately understand the p ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022

Action spectroscopy of deprotomer-selected hydroxycinnamate anions

Eduardo Carrascosa Casado

Tandem ion mobility mass spectrometry-coupled laser excitation is used to record photodetachment, photoisomerization and photodepletion action spectra for a series of deprotomer-selected hydroxycinnamate anions, including deprotonated caffeic, ferulic and ...

SPRINGER2021

Experimental studies of plasma-antenna coupling with the JET Alfven Eigenmode Active Diagnostic

Ambrogio Fasoli, Duccio Testa, Mikhail Maslov, Paulo Giovane Paschoali Pereira Puglia

This paper presents a dedicated study of plasma-antenna (PA) coupling with the Alfven Eigenmode Active Diagnostic (AEAD) in JET. Stable AEs and their resonant frequencies f, damping rates gamma < 0, and toroidal mode numbers n are measured for various PA s ...

IOP Publishing Ltd2021

Charge-based modeling of ultra narrow junctionless cylindrical nanowire FETs

Farzan Jazaeri

This brief proposes an analytical approach to model the DC electrical behavior of extremely narrow cylindrical junctionless nanowire field-effect transistors (JL-NW-FETs). The model includes explicit expressions, taking into account the first-order perturb ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Bioprinting of Cartilaginous Auricular Constructs Utilizing an Enzymatically Crosslinkable Bioink

Nicolas Antoine Vincent Broguiere

Bioprinting of functional tissues could overcome tissue shortages and allow a more rapid response for treatments. However, despite recent progress in bioprinting, and its outstanding ability to position cells and biomaterials in a precise 3D manner, its su ...

WILEY-V C H VERLAG GMBH2021

Data-driven myelin water imaging based on T-1 and T-2 relaxometry

Tobias Kober, Tom Hilbert, Erick Jorge Canales Rodriguez, Marco Pizzolato

Long acquisition times preclude the application of multiecho spin echo (MESE) sequences for myelin water fraction (MWF) mapping in daily clinical practice. In search of alternative methods, previous studies of interest explored the biophysical modeling of ...

WILEY2021

Modeling the response of a diamond detector in the zero power reactor CROCUS

Andreas Pautz, Mathieu Hursin, Vincent Pierre Lamirand, Pavel Frajtag

The present manuscript documents the development of a practical calculation scheme to model the response of a diamond detector in the mixed (neutron and gamma) radiation field of the CROCUS experimental reactor at EPFL. The model is shown to perform reason ...

SPRINGER HEIDELBERG2021

Magnetic-Field-Induced Bound States in Spin-1/2 Ladders

Frédéric Mila, Mithilesh Nayak

Motivated by the recently observed intriguing mode splittings in a magnetic field with inelastic neutron scattering in the spin ladder compound (C5H12N)(2) CuBr4 (BPCB), we investigate the nature of the spin ladder excitations using a density matrix renorm ...

2020

Phase transitions, screening and dielectric response of CsPbBr3

Dominik Józef Kubicki

Cesium-lead-bromide (CsPbBr3) is the simplest all inorganic halide perovskite. It serves as a reference material for understanding the exceptional solar cell properties of the organic-inorganic hybrid halide perovskites and is itself discussed as an altern ...

Royal Society of Chemistry2020

Kagome model for a Z(2) quantum spin liquid

Jonathan D'Emidio

We present a study of a simple model antiferromagnet consisting of a sum of nearest-neighbor SO(N) singlet projectors on the kagome lattice. Our model shares some features with the popular S = 1/2 kagome antiferromagnet but is specifically designed to be f ...

AMER PHYSICAL SOC2020