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20022025
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2021 · cond-mat.mtrl-sciShow all

8 papers · 2 filters

cond-mat.mtrl-sci202111 cited

Atomic-scale studies of Fe3O4(001) and TiO2(110) surfaces following immersion in CO2-acidified water

Francesca Mirabella, Jan Balajka1, Jiri Pavelec +5

Difficulties associated with the integration of liquids into a UHV environment make surface-science style studies of mineral dissolution particularly challenging. Recently, we deve…

cond-mat.mtrl-sci202173 cited

Perspective: Towards the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: the case of rutile GeO

S. Chae, K. A. Mengle, K. Bushick +8

Ultrawide-band-gap (UWBG) semiconductors are promising for fast, compact, and energy-efficient power-electronics devices. Their wider band gaps result in higher breakdown electric…

cond-mat.mtrl-sci20214 cited

Ferroelectricity in Polar ScAlN/GaN Epitaxial Semiconductor Heterostructures

Joseph Casamento, Ved Gund, Hyunjea Lee +11

Room temperature ferroelectricity is observed in lattice-matched ~18% ScAlN/GaN heterostructures grown by molecular beam epitaxy on single-crystal GaN substrates. The epitaxial fil…

cond-mat.mtrl-sci20211 cited

Lack of Fusion in Additive Manufacturing: Defect or Asset?

Jenniffer Bustillos, Jinyeon Kim, Atieh Moridi

Rapid cooling rates and stochastic interactions between the heat source and feedstock in additive manufacturing (AM) result in strong anisotropy and process-induced defects deterio…

cond-mat.mtrl-sci202114 cited

Control of the metal-insulator transition in NdNiO thin films through the interplay between structural and electronic properties

Y. E. Suyolcu, K. Fürsich, M. Hepting +10

Heteroepitaxy offers a new type of control mechanism for the crystal structure, the electronic correlations, and thus the functional properties of transition-metal oxides. Here, we…

cond-mat.mtrl-sci202150 cited

Lack of simple correlation between switching current density and spin-orbit torque efficiency of perpendicularly magnetized spin-current generator/ferromagnet heterostructures

Lijun Zhu, D. C. Ralph, R. A. Buhrman

Spin-orbit torque can drive electrical switching of magnetic layers. Here, we report that at least for micrometer-sized samples there is no simple correlation between the efficienc…