Publications (9)
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
Probing Remote Nuclear Magnetic Moments in hBN with VB Electron Spin
G. V. Mamin, E. V. Dmitrieva, F. F. Murzakhanov +6
Since the initial discovery of optically addressable spins of the negatively charged boron vacancy defect (VB) in hexagonal boron nitride (hBN), substantial progress has been made,…
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…
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…
X-ray Magnetic and Natural Circular Dichroism from first principles: Calculation of K- and L1-edge spectra
N. Bouldi, N. J. Vollmers, C. G. Delpy-Laplanche +8
An efficient first principles approach to calculate X-ray magnetic circular dichroism (XMCD) and X-ray natural circular dichroism (XNCD) is developed and applied in the near edge r…
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…