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20022026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2017 · cond-mat.mtrl-sciShow all

7 papers · 2 filters

cond-mat.mtrl-sci201779 cited

First-principles Engineering of Charged Defects for Two-dimensional Quantum Technologies

Feng Wu, Galatas Andrew, Ravishankar Sundararaman +2

Charged defects in 2D materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. Advancement of these technologies requires rati…

cond-mat.mtrl-sci20177.7k cited

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-…

cond-mat.mtrl-sci2017

Extrinsic faulting in close packed crystal structures: Computational mechanics analysis

Ernesto Estevez-Rams, Raimundo Lora-Serrano, Arbelio Penton-Madrigal +1

Extrinsic faulting has been discussed previously within the so called difference method and random walk calculation. In this contribution is revisited under the framework of comput…

cond-mat.mtrl-sci201714 cited

Ultrafast hot-electron induced quenching of Tb4f magnetic order

T. Ferte, N. Bergeard, G. Malinowski +5

We have investigated ultrafast quenching of the Tb4f magnetic order in Co74Tb26 alloys, induced by femtosecond hot-electrons pulses. The hot-electron pulses were produced in specif…

cond-mat.mtrl-sci201717 cited

Element-resolved ultrafast demagnetization rates in ferrimagnetic CoDy

T. Ferte, N. Bergeard, L. Le Guyader +7

Femtosecond laser induced ultrafast magnetization dynamics have been studied in multisublattice CoxDy1-x alloys. By performing element and time-resolved X-ray spectroscopy, we dist…

cond-mat.mtrl-sci201775 cited

Large enhancement of the spin Hall effect in Au by scattering with side-jump on Ta impurities

P. Laczkowski, Y. Fu, H. Yang +16

We present measurements of the Spin Hall Effect (SHE) in AuW and AuTa alloys for a large range of W or Ta concentrations by combining experiments on lateral spin valves and Ferroma…