WFRF:(Abbas Muhammad)
Sökning: WFRF:(Abbas Muhammad) > (2020-2024) > DFT insights into s...
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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 03850naa a2200433 4500 | |
| 001 | oai:DiVA.org:ltu-85094 | |
| 003 | SwePub | |
| 008 | 210608s2021 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-850942 URI |
| 024 | 7 | a https://doi.org/10.1016/j.physleta.2021.1274692 DOI |
| 040 | a (SwePub)ltu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a art2 swepub-publicationtype |
| 100 | 1 | a Bilal, Muhammadu Computational Materials Modeling Laboratory, Department of Physics, Government College University, Faisalabad, 38040, Faisalabad, Pakistan4 aut |
| 245 | 1 0 | a DFT insights into surface properties of anti-perovskite 3D topological crystalline insulators :b A case study of (001) surfaces of Ca3SnO |
| 264 | 1 | b Elsevier,c 2021 |
| 338 | a print2 rdacarrier | |
| 500 | a Validerad;2021;Nivå 2;2021-06-09 (alebob);Finansiär: Higher Education Commission of Pakistan (7107/Punjab/NRPU/R&D/HEC/2017); “Research Centre of Female Scientific and Medical Colleges”, Deanship of Scientific Research, King Saud University | |
| 520 | a In this letter density functional theory calculations are used for investigating the structural, energetic and electronic properties of CaSn- and Ca2O-terminated (001) surfaces of anti-perovskite Ca3SnO. Our calculations indicate larger structural changes in case of the CaSn-terminated (001) surface of Ca3SnO, however, both CaSn- and Ca2O-terminated surfaces of Ca3SnO are found to be energetically stable. The electronic properties of (001) surfaces of Ca3SnO are examined by taking spin-orbit coupling into account. Comparison of the simulated results of electronic properties for the two (001) surfaces of Ca3SnO with experimentally reported hole carrier densities observed in p-type polycrystalline samples show good agreement. | |
| 650 | 7 | a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng |
| 653 | a Inverse-perovskite | |
| 653 | a Topological insulator | |
| 653 | a Surface electronic phenomena | |
| 653 | a Density functional calculations | |
| 653 | a Applied Physics | |
| 653 | a Tillämpad fysik | |
| 700 | 1 | a Alay-e-Abbas, Syed Muhammad,d 1983-u Luleå tekniska universitet,Materialvetenskap,Computational Materials Modeling Laboratory, Department of Physics, Government College University, Faisalabad, 38040, Faisalabad, Pakistan4 aut0 (Swepub:ltu)syeala |
| 700 | 1 | a Sluydts, Michaelu Center for Molecular Modeling, Ghent University, 9052 Zwijnaarde, Belgium; Department of Electromechanical, Systems and Metal Engineering, Ghent University, 9052 Zwijnaarde, Belgium; ePotentia, 2600 Antwerp, Belgium4 aut |
| 700 | 1 | a Batool, Javariau Department of Physics, Government College Women University, Faisalabad, Faisalabad, Pakistan4 aut |
| 700 | 1 | a Laref, Amelu Department of Physics and Astronomy, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia4 aut |
| 700 | 1 | a Abbas, Ghulamu School of Materials Science and Engineering, Hanshan Normal University, Chaozhou 521041, China; College of Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, China4 aut |
| 700 | 1 | a Amin, Nasiru Computational Materials Modeling Laboratory, Department of Physics, Government College University, Faisalabad, 38040, Faisalabad, Pakistan4 aut |
| 710 | 2 | a Computational Materials Modeling Laboratory, Department of Physics, Government College University, Faisalabad, 38040, Faisalabad, Pakistanb Materialvetenskap4 org |
| 773 | 0 | t Physics Letters Ad : Elsevierg 408q 408x 0375-9601x 1873-2429 |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-85094 |
| 856 | 4 8 | u https://doi.org/10.1016/j.physleta.2021.127469 |
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