Publications related to Novel metallic wires and their mechanical, vibrational, and thermodynamic properties from first-principles

Related publications (11)

BaZrS3 Lights Up: The Interplay of Electrons, Photons, and Phonons in Strongly Luminescent Single Crystals

Chalcogenide perovskites have emerged as a promising class of materials for the next generation of optoelectronic applications, with BaZrS3 attracting significant attention due to its wide bandgap, earth-abundant composition, and thermal and chemical stabi ...

2025

On the lowest-frequency bandgap of 1D phononic crystals

Antonio Joaquin Garcia Suarez

This manuscript puts forward and verifies an analytical approach for the design of phononic crystals that feature a bandgap at the lowest possible frequencies, in the sense of finding the optimal layer thicknesses for a given set of materials in a prescrib ...

2025

Dynamic competition between Cooper pair and spin density wave condensation

Henrik Moodysson Rønnow

Quantum matter phases may coexist microscopically even when they display competing tendencies. A fundamental question is whether such a competition can be avoided through the elimination of one phase while the other one condenses into the ground state. Her ...

American Physical Society (APS)2025

Efficient and Stable Perovskite Solar Cells with a Multifunctional Spiro-Based Hole Transport Material

Mohammad Khaja Nazeeruddin

The widely used spiro-OMeTAD exhibits moderate interaction with the perovskite layer, which does not decrease the defect on the perovskite surface, thus limiting the photoelectric performance of perovskite solar cells. In this work, the spiro-OMeTAD struct ...

2024

Even-odd effects in the J1-J2 SU(N) Heisenberg spin chain

Loïc Jean Pierre Herviou

The zero-temperature phase diagram of the J1-J2 SU(N) antiferromagnetic Heisenberg spin chain is investigated by means of complementary field theory and numerical approaches for general N. A fully gapped SU(N) valence bond solid made of N sites is formed a ...

2023

Orbital-selective metal skin induced by alkali-metal-dosing Mott-insulating Ca2RuO4

Henrik Moodysson Rønnow, Gianmarco Gatti

Doped Mott insulators are the starting point for interesting physics such as high temperature superconductivity and quantum spin liquids. For multi-band Mott insulators, orbital selective ground states have been envisioned. However, orbital selective metal ...

Nature Portfolio2023

Optically induced changes in the band structure of the Weyl charge-density-wave compound (TaSe4)(2)I

Majed Chergui, Helmuth Berger, Marco Grioni, Oleg Yazyev, Alberto Crepaldi, Michele Puppin, Daniel Gosalbez Martinez

Collective modes are responsible for the emergence of novel quantum phases in topological materials. In the quasi-one dimensional (1D) Weyl semimetal (TaSe4)(2)I < i , a charge density wave (CDW) opens band gaps at the Weyl points, thus turning the system ...

2022

Imprinting Persistent Currents in Tunable Fermionic Rings

Giulia Del Pace

Persistent currents in annular geometries have played an important role in disclosing the quantum phase coherence of superconductors and mesoscopic electronic systems. Ultracold atomic gases in multiply connected traps also exhibit long-lived supercurrents ...

American Physical Society2022

Connecting Hodge and Sakaguchi-Kuramoto through a mathematical framework for coupled oscillators on simplicial complexes

Alexis Arnaudon

Phase synchronizations in models of coupled oscillators such as the Kuramoto model have been widely studied with pairwise couplings on arbitrary topologies, showing many unexpected dynamical behaviors. Here, based on a recent formulation the Kuramoto model ...

NATURE PORTFOLIO2022

Spontaneous formation of a self-healing carbon nanoskin at the liquid-liquid interface

Pedro Miguel Nunes Pereira de Almeida Reis, Holger Frauenrath, Nicolas Candau, Reuben Yeo Jueyuan, Paul Grandgeorge, Enzo Jean Raymond Bomal

Biological membranes exhibit the ability to self-repair and dynamically change their shape while remaining impermeable. Yet, these defining features are difficult to reconcile with mechanical robustness. Here, we report on the spontaneous formation of a ca ...

Nature Research2022

Tracking local and global structural changes in a protein by cold ion spectroscopy

Oleg Boyarkine, Vladimir Kopysov, Natalia Nagornova, Andrei Zviagin

Characterization of native structures of proteins in the gas phase remains challenging due to the unpredictable conformational changes the molecules undergo during desolvation and ionization. We spectroscopically studied cryogenically cooled protonated pro ...

ROYAL SOC CHEMISTRY2022