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

29.3k citations

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cond-mat.mtrl-sci2026

Bernoulli principle in ferroelectrics

Anna Razumnaya, Yuri Tikhonov, Dmitrii Naidenko +2

Ferroelectric materials, characterized by spontaneous electric polarization, exhibit remarkable parallels with fluid dynamics, where polarization flux behaves similarly to fluid fl…

cond-mat.mtrl-sci2026

Phonon frequency comb close to an isolated Einstein mode in InSiTe3

Tea Belojica, Jovan Blagojević, Sanja Djurdjić Mijin +10

The emergence of phonon frequency combs exemplifies a rare and intriguing phenomenon in quantum solids. Materials with distinctive phonon band structures are especially promising f…

cond-mat.mtrl-sci2025★ 2 cited

Domain Morphology, Electrocaloric Response, and Negative Capacitance States of Ferroelectric Nanowires Array

Anna N. Morozovska, Oleksii V. Bereznykov, Maksym V. Strikha +4

We analyzed the domain morphology, electrocaloric response, and negative capacitance states in a one-dimensional array of uniformly oriented, radial symmetric ferroelectric nanowir…

cond-mat.mtrl-sci2025★ 8 cited

Enhancement of the energy storage and electrocaloric effect performances in 0.4 BCZT 0.6 BSTSn medium entropy ceramic prepared by sol gel method

S. Khardazi, Z. Gargar, A. Lyubchyk +5

Based on the traditional polycrystalline ferroelectric Ba0.85Ca0.15Zr0.10Ti0.90O3, the 0.4 Ba0.85Ca0.15Zr0.10Ti0.90O3 0.6 Ba0.9Sr0.1Ti0.9Sn0.1O3 medium entropy material with good e…

cond-mat.mtrl-sci2025★ 1 cited

Flexoelectric Polarization Enhancement in Paraelectric via Strain Gradient Engineering

Timo Piecuch, Nina Daneu, Jeffrey A. Brock +7

Flexoelectricity - polarization induced by strain gradients - offers a route to polar functionality in centrosymmetric dielectrics, where traditional piezoelectric effects are abse…

cond-mat.mtrl-sci2025

Strain-Gradient and Curvature-Induced Changes in Domain Morphology of BaTiO3 Nanorods: Experimental and Theoretical Studies

Olha A. Kovalenko, Eugene A. Eliseev, Yuriy O. Zagorodniy +7

We investigate the impact of OH- ions incorporation on the lattice strain and spontaneous polarization of BaTiO3 nanorods synthesized under different conditions. It was confirmed t…