Bonding in intermetallics may be deceptive – The case of the new type structure Au2InGa2
Source abstract
Abstract
We have investigated the crystal and the electronic structure of a new ternary phase, Au2InGa2 using powder and single crystal X-Ray Diffraction (XRD) and Stuttgart Tight Binding LMTO-ASA methods, respectively. Complementary methods including Thermo-Gravimetric Differential Thermal Analysis (TG-DTA), Energy Dispersive X-ray Spectroscopy (EDS) and Scanning Electron Microscopy (SEM) were also employed. As a result, the complete structure was determined and the role of homoatomic and heteroatomic bonding is discussed.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Advanced Chemical Physics Studies · Intermetallics and Advanced Alloy Properties · Rare-earth and actinide compounds
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (21)
Show source-provided references
1. Vapor–liquid–solid mechanism of single crystal growth10.1063/1.1753975 ↗
2. Recent advances in semiconductor nanowire heterostructures10.1039/c1ce05821e ↗
3. Nature of heterointerfaces in GaAs/InAs and InAs/GaAs axial nanowire heterostructures10.1063/1.2978959 ↗
4. Growth of straight InAs-on-GaAs nanowire heterostructures10.1021/nl202051w ↗
5. Controlling the abruptness of axial heterojunctions in III–V nanowires: beyond the reservoir effect10.1021/nl301185x ↗
6. The tin-rich part of the Au–Pt–Sn system10.1016/S0925-8388(00)01241-X ↗
7. Einige strukturelle Ergebnisse an metallischen Phasen III10.1007/BF00600681 ↗
8. Petricek · 2006
9. SUPERFLIP - a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions10.1107/S0021889807029238 ↗
10. Andersen · 2000
11. A local exchange-correlation potential for the spin polarized case. i10.1088/0022-3719/5/13/012 ↗
12. Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations10.1021/j100135a014 ↗
13. First-principles computation of material properties: the ABINIT software project10.1016/S0927-0256(02)00325-7 ↗
14. A brief introduction to the ABINIT software package
15. ABINIT: first-principles approach to material and nanosystem properties10.1016/j.cpc.2009.07.007 ↗
16. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
17. Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory10.1016/S0010-4655(98)00201-X ↗
18. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
19. High-precision sampling for Brillouin-zone integration in metals10.1103/PhysRevB.40.3616 ↗
20. Kristallstruktur von Pt2Sn3
21. Ion-beam induced metastable Pt2Si3 phase. I. Formation, structure, and properties10.1063/1.327446 ↗