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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2025 · cond-mat.mtrl-sciShow all

10 papers · 2 filters

cond-mat.mtrl-sci2025★ 8 cited

Accelerated Discovery of Crystalline Materials with Record Ultralow Lattice Thermal Conductivity via a Universal Descriptor

Xingchen Shen, Jiongzhi Zheng, Michael Marek Koza +9

Ultralow glass-like lattice thermal conductivity in crystalline materials is crucial for enhancing energy conversion efficiency in thermoelectrics and thermal insulators. We introd…

cond-mat.mtrl-sci2025★ 2 cited

Conduction Band Structure and Ultrafast Dynamics of Ferroelectric -GeTe(111)

Geoffroy Kremer, Laurent Nicolaï, Frédéric Chassot +9

-GeTe(111) is a non-centrosymmetric ferroelectric (FE) material for which a significative lattice distortion combined with a strong spin-orbit interaction gives rise to giant Ra…

cond-mat.mtrl-sci2025★ 10 cited

Diffuson-Dominated Thermal Transport Crossover from Ordered to Liquid-like CuBiS:The Negligible Role of Ion Hopping

Jincheng Yue, Jiongzhi Zheng, Xingchen Shen +7

Fundamentally understanding lattice dynamics and thermal transport behavior in liquid-like, partially occupied compounds remains a long-standing challenge in condensed matter physi…

cond-mat.mtrl-sci2025★ 2 cited

Interfacial Behavior from the Atomic Blueprint: Machine Learning-Guided Design of Spatially Functionalized a-SiO2 Surfaces

Evgenii Strugovshchikov, Viktor Mandrolko, Dominika Lesnicki +3

a-Quartz surfaces functionalized with hydroxyl and methyl groups provide a versatile platform for controlling interfacial properties critical to applications such as catalysis, pro…

cond-mat.mtrl-sci2025

Tailoring non-collinear magnetism and 3d 4f exchange interactions in RVO epitaxial thin films

O. Copie, J. Varignon, I. C. Infante +8

In orthorhombic perovskite oxides (RMO), substituting R rare-earth cations tailors the spin, orbital, and charge degrees of freedom of the central M transition me…

cond-mat.mtrl-sci2025

Parity Metamaterials and Dynamic Acoustic Mimicry

Jinjie Shi, Hongchen Chu, Aurelien Merkel +4

While parity transformation represents a fundamental symmetry operation in physics, its implications remain underexplored in metamaterial science. Here, we introduce a framework le…

cond-mat.mtrl-sci2025★ 3 cited

Single-Shot Magnetization Reversal in Ferromagnetic Spin Valves Enabled via Heat Control

Kazuaki Ishibashi, Junta Igarashi, Alberto Anadón +7

We study laser induced ultrafast magnetization reversal in a ferromagnetic spin valve by comparing the effects of direct laser excitation and ultrashort hot electron pulses. A wedg…

cond-mat.mtrl-sci2025★ 36 cited

Effect of substrate temperature on the deposition of Al-doped ZnO thin films using high power impulse magnetron sputtering

Martin Mickan, Ulf Helmersson, David Horwat

Al-doped ZnO thin films were deposited using reactive high power impulse magnetron sputtering at substrate temperatures between room temperature and 600 C. Two sample ser…

cond-mat.mtrl-sci2025

Nanoscale characterization of atomic positions in orthorhombic perovskite thin films

M. Martirosyan, S. Passuti, G. Masset +12

The crystal structure determines many of the physical properties of oxide perovskites (ABO) and only a tiny modification of the lattice structure causes major changes in the fu…

cond-mat.mtrl-sci2025★ 21 cited

Influence of Chemistry and Topography on the Wettability of Copper

Sarah Marie Lößlein, Rolf Merz, Yerila Rodríguez-Martínez +5

To understand the complex interplay of topography and surface chemistry in wetting, fundamental studies investigating both parameters are needed. Due to the sensitivity of wetting…