Search: onr:"swepub:oai:DiVA.org:uu-457882" >
Construction of A-B...
Construction of A-B heterolayer intermetallic crystals : Case studies of the 1144-phase TM-phosphides AB(TM)(4)P-4 (TM=Fe, Ru, Co, Ni)
-
- Song, B. Q. (author)
- Iowa State Univ, Ames Lab, Ames, IA 50011 USA.;Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
-
- Xu, Mingyu (author)
- Iowa State Univ, Ames Lab, Ames, IA 50011 USA.;Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
-
- Borisov, Vladislav (author)
- Uppsala universitet,Materialteori,Goethe Univ Frankfurt Am Main, Inst Theoret Phys, D-60438 Frankfurt, Germany.
-
show more...
-
- Palasyuk, Olena (author)
- Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
-
- Wang, C. Z. (author)
- Iowa State Univ, Ames Lab, Ames, IA 50011 USA.;Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
-
- Valenti, Roser (author)
- Goethe Univ Frankfurt Am Main, Inst Theoret Phys, D-60438 Frankfurt, Germany.
-
- Canfield, Paul C. (author)
- Iowa State Univ, Ames Lab, Ames, IA 50011 USA.;Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
-
- Ho, K. M. (author)
- Iowa State Univ, Ames Lab, Ames, IA 50011 USA.;Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
-
show less...
-
Iowa State Univ, Ames Lab, Ames, IA 50011 USA;Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Materialteori (creator_code:org_t)
- American Physical Society, 2021
- 2021
- English.
-
In: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 5:9
- Related links:
-
https://urn.kb.se/re...
-
show more...
-
https://doi.org/10.1...
-
show less...
Abstract
Subject headings
Close
- The discovery of the 1144 phase, e.g., CaKFe4As4, creates opportunities to build novel intermetallics with alternative stacking of two parent compounds. Here we formalize the idea by defining a class of bulk crystalline solids with A-B stacking (including 1144 phases and beyond), which is a generalization of heterostructures from few-layer or thin-film semiconductors to bulk intermetallics. Theoretically, four families of phosphides AB(TM)(4)P-4 (TM=Fe, Ru, Co, Ni) are investigated by first-principles calculations, wherein configurational, vibrational, and electronic degrees of freedom are considered. It predicts a variety of stable 1144 phases (especially Ru- and Fe-phosphides). Stability rules are found and structural/electronic properties are discussed. Experimentally, we synthesize high-purity CaKRu4P4 as a proof of principle example. The synthetic method is simple and easily applied. Moreover, it alludes to a strategy to explore complex multicomponent compounds, facilitated by a phase diagram coordinated by collective descriptors.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
To the university's database