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

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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

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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.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.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.…

cond-mat.mtrl-sci2020★ 16 cited

Tetracene ultrathin film growth on silicon

Jens Niederhausen, Hazem Aldahhak, Rowan W. MacQueen +3

Inorganic-organic interfaces are important for enhancing the power conversion efficiency of silicon-based solar cells through singlet exciton fission (SF). We elucidated the struct…

cond-mat.mtrl-sci2019★ 26 cited

Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation

Zaili Peng, Timur Biktagirov, Franklin H. Cho +2

Nanodiamond (ND) hosting nitrogen-vacancy (NV) centers is a promising platform for quantum sensing applications. Sensitivity of the applications using NV centers in NDs is often li…

cond-mat.mtrl-sci2018

Proton Irradiation Induced Defects in \b{eta}-Ga2O3: a combined EPR and Theory Study

Hans Jürgen von Bardeleben, Shengqiang Zhou, Uwe Gerstmann +4

Proton irradiation of both n-type and semi-insulating bulk samples of \b{eta}-Ga2O3 leads to the formation of one paramagnetic defect with spin S=1/2, monoclinic point symmetry, a…