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7 papers · 2 filters
QH-POCC: taming tiling entropy in thermal expansion calculations of disordered materials
Marco Esters, Andriy Smolyanyuk, Corey Oses +6
Disordered materials are attracting considerable attention because of their enhanced properties compared to their ordered analogs, making them particularly suitable for high-temper…
aflow++: a C++ framework for autonomous materials design
C. Oses, M. Esters, D. Hicks +17
The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades,…
aflow.org: A Web Ecosystem of Databases, Software and Tools
Marco Esters, Corey Oses, Simon Divilov +10
To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools…
What is in a Name: Defining -High Entropy- Oxides
Matthew Brahlek, Maria Gazda, Veerle Keppens +10
High entropy oxides are emerging as an exciting new avenue to design highly tailored functional behaviors that have no traditional counterparts. Study and application of these mate…
Large-Area Intercalated 2D-Pb/Graphene Heterostructure as a Platform for Generating Spin-Orbit Torque
Alexander Vera, Boyang Zheng, Wilson Yanez +19
A scalable platform to synthesize ultrathin heavy metals may enable high efficiency charge-to-spin conversion for next-generation spintronics. Here we report the synthesis of air-s…
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure
Xiaoyu Wang, Davide M Proserpio, Corey Oses +3
A metallic covalently bonded carbon allotrope is predicted via first principles calculations. It is composed of an carbon framework that acts as a diamond anvil cell by cons…
Nonsymmorphic Symmetry-Protected Band Crossings in a Square-Net Metal PtPb
Han Wu, Alannah M. Hallas, Xiaochan Cai +15
Topological semimetals with symmetry-protected band crossings have emerged as a rich landscape to explore intriguing electronic phenomena. Nonsymmorphic symmetries in particular ha…