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most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2016 · cond-mat.mtrl-sciShow all

10 papers · 2 filters

cond-mat.mtrl-sci2016★ 31 cited

Manipulating exchange bias using all-optical helicity-dependent switching

Pierre Vallobra, Thibaud Fache, Yong Xu +5

Deterministic all-optical control of magnetization without an applied magnetic field has been reported for different materials such as ferrimagnetic and ferromagnetic thin films an…

cond-mat.mtrl-sci2016★ 11 cited

Perpendicularly magnetized CoFeB multilayers with tunable interlayer exchange for synthetic ferrimagnets

Philipp Pirro, Abbass Hamadeh, Marion Lavanant-Jambert +7

A study of the multilayer system MgO/CoFeB(1.1nm)/Ta()/CoFeB(0.8nm)/MgO is presented, where the two CoFeB layers are separated by a Ta interlayer of varying thickness . The m…

cond-mat.mtrl-sci2016★ 7 cited

Competing Structures in (In,Ga)Se and (In,Ga)2Se3 Semiconductors

J. Srour, A. Postnikov, M. Badawi +1

The electronic structure of four polytypes (beta, gamma, delta and epsilon) of hexagonal GaSe and InSe is calculated from first principles, using the WIEN2k and VASP codes and PBEs…

cond-mat.mtrl-sci2016★ 6 cited

Near-forward Raman selection rules of the phonon-polariton created by alloying in (Zn,Be)Se

H. Dicko, O. Pages, F. Firszt +5

The Raman selection rules of the (ZnSe, BeSe) mixed phonon polariton created by alloying in the three mode (1ZnSe, 2BeSe) ZnBeSe system, whose dramatic S like dispersion covers the…

cond-mat.mtrl-sci2016★ 10 cited

Pressure-induced phonon freezing in the ZnSeS II-VI mixed crystal: phonon-polaritons and ab initio calculations

R. Hajj Hussein, O. Pages, A. Polian +8

Near-forward Raman scattering combined with ab initio phonon and bond length calculations is used to study the phonon-polariton transverse optical modes (with mixed electrical and…

cond-mat.mtrl-sci2016★ 190 cited

Two types of all-optical magnetization switching mechanisms using femtosecond laser pulses

M. S. El Hadri, P. Pirro, C. -H. Lambert +6

Magnetization manipulation in the absence of an external magnetic field is a topic of great interest, since many novel physical phenomena need to be understood and promising new ap…

cond-mat.mtrl-sci2016★ 33 cited

Anisotropic thermal expansion of bismuth from first principles

B. Arnaud, S. Lebègue, G. Raffy

Some anisotropy in both mechanical and thermodynamical properties of bismuth is expected. A combination of density functional theory total energy calculations and density functiona…

cond-mat.mtrl-sci2016★ 33 cited

Magnetic ground state and spin fluctuations in MnGe chiral magnet as studied by Muon Spin Rotation

N. Martin, M. Deutsch, F. Bert +9

We have studied by muon spin resonance (μSR) the helical ground state and fluctuating chiral phase recently observed in the MnGe chiral magnet. At low temperature, the muon polariz…

cond-mat.mtrl-sci2016★ 21 cited

Propagation of acoustic waves in a von-Kármán vortex street like configuration of disclinations

Sébastien Fumeron, Bertrand Berche, Fernando Moraes +2

We show that a simple model of 1D array of topological defects in a crystalline environment is able to guide acoustic waves, depending on the angle of the incident wave. We comment…

cond-mat.mtrl-sci2016★ 22 cited

Magnetovolume effect, macroscopic hysteresis and moment collapse in the paramagnetic state of cubic MnGe under pressure

N. Martin, I. Mirebeau, M. Deutsch +6

Itinerant magnets generally exhibit pressure induced transitions towards non magnetic states. Using synchrotron based X-ray diffraction and emission spectroscopy, the evolution of…