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From the 1 of 21 linked papers with an AI index.

activity
20062026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 37.3k across the 20 of their papers we have counts for

collaborators

21 papers

physics.optics2026

Surface-exciton enhanced SHG response in few-layer 2H-TMDC

H. Hübschmann, G. Berth, M. Groll +6

We explore the nonlinear optical properties of few-layer MoS2 by means of polarization and laser-power-dependent measurements as well as ab initio techniques. While for even layer…

cond-mat.mtrl-sci2026

Second harmonic study of thermally oxidized mono- and few-layer 2H-MoS2

Katharina Burgholzer, Henry Volker Hübschmann, Gerhard Berth +5

A comprehensive study of second harmonic generation on thermally oxidized MoS2 flakes with thickness ranging from monolayer up to seven layers is presented. Observing the fundament…

cond-mat.mes-hall2024★ 9 cited

Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters

Timur Biktagirov, Uwe Gerstmann, Wolf Gero Schmidt

We investigate the role of topological defects in exciton behavior in (6,5) semiconducting single-walled carbon nanotubes using density functional theory. Our study identifies the…

cond-mat.mtrl-sci2024★ 12 cited

14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study

F. F. Murzakhanov, M. A. Sadovnikova, G. V. Mamin +6

The nitrogen-vacancy (NV) centers (NCVSi) - in 4H silicon carbide (SiC) constitute an ensemble of spin S = 1 solid state qubits interacting with the surrounding 14N and 29Si nuclei…

cond-mat.mes-hall2024

Room Temperature Microsecond Coherence of Silicon Dangling Bonds

J. Möser, H. Popli, T. H. Tennahewa +8

Paramagnetic point defects in silicon provide qubits that could open up pathways towards silicon-technology based, low-cost, room-temperature (RT) quantum sensing. The silicon dang…

cond-mat.mtrl-sci2023

DFT-Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe by Differential Phase Contrast Imaging

Maja Groll, Julius Bürger, Ioannis Caltzidis +4

Most properties of solid materials are defined by their internal electric field and charge density distributions which so far are difficult to measure with high spatial resolution.…