Publications related to Examining Experimental Raman Mode Behavior in Mono- and Bilayer 2H-TaSe2 via Density Functional Theory: Implications for Quantum Information Science

Related publications (10)

Toward Wearable Biosensing by Spectroscopy-free Raman Shift Detection and Soft Optofluidics

This thesis introduces spectroscopy-free Raman biosensing, which may find increasing use in the next generation of wearable devices for preventive healthcare. While wearables have made substantial advancements in detecting physical biomarkers, they have ye ...

EPFL2024

Empirical Sample Complexity of Neural Network Mixed State Reconstruction

Giuseppe Carleo, Filippo Vicentini

Quantum state reconstruction using Neural Quantum States has been proposed as a viable tool to reduce quantum shot complexity in practical applications, and its advantage over competing techniques has been shown in numerical experiments focusing mainly on ...

Verein Forderung Open Access Publizierens Quantenwissenschaf2024

The 2022 applied physics by pioneering women: a roadmap

Anna Fontcuberta i Morral

Women have made significant contributions to applied physics research and development, and their participation is vital to continued progress. Recognizing these contributions is important for encouraging increased involvement and creating an equitable envi ...

IOP Publishing Ltd2023

Quantitative Analysis of Nanorough Hydrogenated Si(111) Surfaces through Vibrational Spectral Assignment by Periodic DFT Calculations br

Christophe Ballif, Stefaan De Wolf, Jakub Holovsky

In this work, we use periodic density functional theory(periodic DFT) to rigorously assign vibrational spectra measured on nanorough wet-processed hydrogenated Si(111) surfaces. We compare Si(111)-(1x1) surfaces etched by dilute HF and NH4F, featuring two ...

AMER CHEMICAL SOC2022

Electronic Structure of InAs and InSb Surfaces: Density Functional Theory and Angle-Resolved Photoemission Spectroscopy

Gabriel Aeppli

The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, the electronic structure of InAs(001), InAs(111), and InSb(110) surfaces is studied ...

WILEY2022

Computed Three-Dimensional Atomic Force Microscopy Images of Biopolymers Using the Jarzynski Equality

Marcos Penedo Garcia

Three-dimensional atomic force microscopy (3D-AFM) has resolved three-dimensional distributions of solvent molecules at solid-liquid interfaces at the subnanometer scale. This method is now being extended to the imaging of biopolymer assemblies such as chr ...

2022

Quantifying the Solution Structure of Metal Nanoclusters Using Small-Angle Neutron Scattering

Huayan Yang, Francesco Stellacci, Stefan Guldin, Zhi Luo

Metal nanoclusters are a unique class of synthetic material, as their crystal structures can be resolved using X-ray diffraction, and their chemical formula can be precisely determinated from mass spectroscopy. However, a complete structure characterizatio ...

Wiley-VCH Verlag GmbH2022

A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI3

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Ulf Anders Hagfeldt, Paramvir Ahlawat, Essa Awadh R Alharbi, Haizhou Lu

It is well established that the lack of understanding the crystallization process in a two-step sequential deposition has a direct impact on efficiency, stability, and reproducibility of perovskite solar cells. Here, we try to understand the solid-solid ph ...

2021

Ni80Fe20 nanotubes with optimized spintronic functionalities prepared by atomic layer deposition

Anna Fontcuberta i Morral, Dirk Grundler, Simon Robert Escobar Steinvall, Sho Watanabe, Maria Carmen Giordano

Permalloy Ni80Fe20 is one of the key magnetic materials in the field of magnonics. Its potential would be further unveiled if it could be deposited in three dimensional (3D) architectures of sizes down to the nanometer. Atomic Layer Deposition, ALD, is the ...

2021

Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations

Nicola Marzari, Iurii Timrov, Matteo Cococcioni, Xinyu Zhang, Piyush Agrawal

We present a joint theoretical and experimental study of the oxygen K-edge spectra for LaFeO3 and homovalent Ni-substituted LaFeO3 (LaFe0.75Ni0.25O3), using first-principles simulations based on density-functional theory with extended Hubbard functionals a ...

AMER PHYSICAL SOC2020