42 citations · 114 across the 9 of their papers we have counts for
9 papers
Ab initio insights on the ultrafast strong-field dynamics of anatase TiO
Sruthil Lal S. B, Lokamani, Kushal Ramakrishna +5
Electron dynamics of anatase TiO under the influence of ultrashort and intense laser field is studied using the real-time time-dependent density functional theory (TDDFT). Our…
Atomic mechanisms of self-diffusion in amorphous silicon
Matthias Posselt, Hartmut Bracht, Mahdi Ghorbani-Asl +1
Based on recent calculations of the self-diffusion (SD) coefficient in amorphous silicon (a-Si) by classical Molecular Dynamics simulation [M. Posselt, H. Bracht, and D. Radić, J.…
On the algebraic structures of the space of interval-valued intuitionistic fuzzy numbers
Xinxing Wu, Chaoyue Tan, Gul Deniz Cayli +1
This study is inspired by those of Huang et al. (Soft Comput. 25, 2513--2520, 2021) and Wang et al. (Inf. Sci. 179, 3026--3040, 2009) in which some ranking techniques for interval-…
Dissolution of donor-vacancy clusters in heavily doped n-type germanium
Slawomir Prucnal, Maciej O. Liedke, Xiaoshuang Wang +17
The n-type doping of Ge is a self-limiting process due to the formation of vacancy-donor complexes (DnV with n <= 4) that deactivate the donors. This work unambiguously demonstrate…
Deterministic Single Ion Implantation with 99.87% Confidence for Scalable Donor-Qubit Arrays in Silicon
Alexander M. Jakob, Simon G. Robson, Vivien Schmitt +9
The attributes of group-V-donor spins implanted in an isotopically purified Si crystal make them attractive qubits for large-scale quantum computer devices. Important featur…
Influence of phonon and electron excitations on the free energy of defect clusters in solids: A first-principles study
M. Posselt, D. Murali, M. Schiwarth
Although many processes of nanostructure evolution in solids occur at elevated temperatures, basic data obtained from ground state energetics are used in the modeling of these phen…
First-principles calculation of defect free energies: General aspects illustrated in the case of bcc-Fe
D. Murali, M. Posselt, M. Schiwarth
The first-principles calculation of contributions of phonon and electron excitations to free formation, binding, and migration energies of defects is illustrated in the case of bcc…
Energetics, structure, and composition of nanoclusters in Oxide Dispersion Strengthened Fe-Cr alloys
M. Posselt, D. Murali, B. K. Panigrahi
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied…
Vibrational contribution to the thermodynamics of nanosized precipitates: vacancy-copper clusters in bcc-Fe
M. Talati, M. Posselt, G. Bonny +2
Within the harmonic approximation, the effects of lattice vibration on the thermodynamics of nano-sized coherent clusters in bcc-Fe consisting of vacancies and/or copper are invest…