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20022025
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2022 · cond-mat.mtrl-sciShow all

7 papers · 2 filters

cond-mat.mtrl-sci202256 cited

Real-time 3D analysis during electron tomography using tomviz

Jonathan Schwartz, Chris Harris, Jacob Pietryga +13

The demand for high-throughput electron tomography is rapidly increasing in biological and material sciences. However, this 3D imaging technique is computationally bottlenecked by…

cond-mat.mtrl-sci20224 cited

Ab initio study of the crystal and electronic structure of mono- and bi-alkali antimonides: Stability, Goldschmidt-like tolerance factors, and optical properties

J. K. Nangoi, M. Gaowei, A. Galdi +4

Mono- and bi-alkali antimonides, XYSb (X and Y from Group I), are promising for next-generation electron emitters due to their capability of producing high-quality electron bea…

cond-mat.mtrl-sci202232 cited

Synthesis and electronic properties of NdNiO Ruddlesden-Popper nickelate thin films

Grace A. Pan, Qi Song, Dan Ferenc Segedin +14

The rare-earth nickelates possess a diverse set of collective phenomena including metal-to-insulator transitions, magnetic phase transitions, and, upon chemical reduction, supercon…

cond-mat.mtrl-sci202211 cited

N-polar GaN p-n junction diodes with low ideality factors

Kazuki Nomoto, Huili Grace Xing, Debdeep Jena +1

High-quality N-polar GaN p-n diodes are realized on single-crystal N-polar GaN bulk substrate by plasma-assisted molecular beam epitaxy. The room-temperature current-voltage charac…

cond-mat.mtrl-sci202285 cited

Pervasive beyond room-temperature ferromagnetism in a doped van der Waals magnet: Ni doped FeGeTe with up to 478 K

Xiang Chen, Yu-Tsun Shao, Rui Chen +10

The existence of long range magnetic order in low dimensional magnetic systems, such as the quasi-two-dimensional (2D) van der Waals (vdW) magnets, has attracted intensive studies…

cond-mat.mtrl-sci2022

Experimental phase transition mapping for hydrogen above 300 K up to 300 GPa

Chang-Sheng Zha, Hanyu Liu, Zhongwu Wang +1

A vast amount of Raman spectroscopic data, obtained using diamond anvil cell technique under in situ high pressure-temperature conditions, has been used for mapping the phase trans…