Back to Search
Start Over
Fermi-Level Characteristics of Potential Chalcogenide Superconductors
- Source :
- Chemistry of Materials. 30:2251-2261
- Publication Year :
- 2018
- Publisher :
- American Chemical Society (ACS), 2018.
-
Abstract
- Quantum chemical high-throughput screenings of compound libraries for the identifications of materials with the desired properties have emerged as beneficial tools to accelerate the discoveries of compounds of interest. The quantum chemical high-throughput screenings of compound libraries require the definitions of reliable descriptors enabling relationships between the observed physical properties and the computed electronic structures. The desire to enhance the discoveries of materials showing electronic instabilities which are related to possible metal-to-superconductor transitions stimulated our impetus to probe the feasibility of a descriptor for the identifications of materials with the aforementioned electronic instabilities in the forms of flat bands crossing the Fermi levels. To evaluate the reliability of the projected descriptor based on the flat band/steep band scenario for superconductors, we inspected the characteristics of the electronic band structures near the Fermi levels for a series of...
- Subjects :
- Quantum chemical
Physics
Superconductivity
Series (mathematics)
Condensed matter physics
Chalcogenide
General Chemical Engineering
Fermi level
Electronic band
02 engineering and technology
General Chemistry
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
symbols.namesake
chemistry.chemical_compound
Reliability (semiconductor)
chemistry
Materials Chemistry
symbols
Flat band
0210 nano-technology
Subjects
Details
- ISSN :
- 15205002 and 08974756
- Volume :
- 30
- Database :
- OpenAIRE
- Journal :
- Chemistry of Materials
- Accession number :
- edsair.doi...........f4cc0414643a488b707e01e8ad84b319