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19932026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2016 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci2016★ 10 cited

Broad-band dielectric response of BTZ-BCT piezoceramics: soft and central mode behaviour

S. Kamba, E. Simon, V. Skoromets +6

Dielectric properties of BTZ-BCT ceramics were probed in the frequency range from 10 Hz to 100 THz in a broad temperature range (10-900 K). Polar soft phonon observed in infrared s…

cond-mat.mtrl-sci2016★ 25 cited

Electroabsorption in MoS

Daniele Vella, Dmitry Ovchinnikov, Nicola Martino +8

To translate electrical into optical signals one uses the modulation of either the refractive index or the absorbance of a material by an electric field. Contemporary electroabsorp…

cond-mat.mtrl-sci2016★ 63 cited

Intergranular stress distributions in polycrystalline aggregates of irradiated stainless steel

J. Hure, S. El Shawish, L. Cizelj +1

In order to predict InterGranular Stress Corrosion Cracking (IGSCC) of post-irradiated austenitic stainless steel in Light Water Reactor (LWR) environment, reliable predictions of…

cond-mat.mtrl-sci2016★ 32 cited

A multicaloric material as a link between electrocaloric and magnetocaloric refrigeration

Hana Ursic, Vid Bobnar, Barbara Malic +6

The existence and feasibility of the multicaloric, polycrystalline material 0.8Pb(Fe1/2Nb1/2)O3-0.2Pb(Mg1/2W1/2)O3, exhibiting magnetocaloric and electrocaloric properties, are dem…

cond-mat.mtrl-sci2016★ 65 cited

Role of charged defects on the electrical and electro-mechanical properties of rhombohedral Pb(Zr,Ti)O3 with oxygen octahedra tilts

Tadej Rojac, Silvo Drnovsek, Andreja Bencan +2

Oxygen octahedra tilting is a common structural phenomenon in perovskites and has been subject of intensive studies, particularly in rhombohedral Pb(Zr,Ti)O3 (PZT). Early reports s…