Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session M28: Computational Design, Understanding and Discovery of Novel Materials IV
8:00 AM–11:00 AM,
Wednesday, March 8, 2023
Room: Room 220
Sponsoring
Unit:
DMP
Chair: Jorge Munoz, University of Texas at El Paso; Rodrigo Freitas, MIT
Abstract: M28.00004 : A song of energy scales and technology: The elusive challenge of Heusler alloys*
9:00 AM–9:12 AM
Presenter:
Adam Hauser
(University of Alabama)
Authors:
Adam Hauser
(University of Alabama)
Ridwan Nahar
(The University of Alabama)
Ka Ming Law
(University of Alabama)
First, we use first principles calculations to screen for the convergence of useful material properties, alloy melting points as a fraction of our practical growth temperature maximum (1000 °C), and either an atomic ordering configuration robust against site swapping or a material system whose desired properties are robust against some amount of site swapping. We then grow thin films of material systems that meet the criteria using sputter beam epitaxy deposition, and characterize their atomic ordering and material properties for comparison to theory. Using this procedure, compositional series across elemental choices will determine the veracity and limits of hypotheses and lead to basic rules governing atomic ordering in complex alloys.
*The author gratefully acknowledges financial support from the National Science Foundation (NSF CAREER DMR-2047251).
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