Structural, elastic and electronic properties of MgB2C2 under pressure from first-principles calculations Article Swipe
Lili Liu
,
Miao Wang
,
Lei Hu
,
Yufeng Wen
,
Youchang Jiang
·
YOU?
·
· 2020
· Open Access
·
· DOI: https://doi.org/10.22541/au.158977270.03685412
YOU?
·
· 2020
· Open Access
·
· DOI: https://doi.org/10.22541/au.158977270.03685412
First principles calculations by using of projected augmented plane-wave method have been performed to investigate the structural, elastic and electronic properties of MgB2C2 under different pressures. The results indicate that the ternary compound of MgB2C2 remains mechanically stable under pressure ranging from 0 to 50 GPa. Elastic analysis is performed and it is found that MgB2C2 always shows obvious intrinsic brittleness under pressure, although an increasing trend of the ductility both from BH/GH and vH with increasing pressure. (100), (010) and (1-10) planes show strong anisotropy and the degree of anisotropy decreases with increasing pressure, in the meantime, it is interesting to find that the degree of anisotropy is reduced in order of planes (1-10)-(100)-(010) under the same pressure.
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- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.22541/au.158977270.03685412
- https://yvm2020.authorea.com/doi/pdf/10.22541/au.158977270.03685412
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Structural, elastic and electronic properties of MgB2C2 under pressure from first-principles calculationsWork title
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preprintOpenAlex work type
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enPrimary language
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2020Year of publication
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2020-05-18Full publication date if available
- Authors
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Lili Liu, Miao Wang, Lei Hu, Yufeng Wen, Youchang JiangList of authors in order
- Landing page
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https://doi.org/10.22541/au.158977270.03685412Publisher landing page
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https://yvm2020.authorea.com/doi/pdf/10.22541/au.158977270.03685412Direct link to full text PDF
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goldOpen access status per OpenAlex
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https://yvm2020.authorea.com/doi/pdf/10.22541/au.158977270.03685412Direct OA link when available
- Concepts
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Anisotropy, Ductility (Earth science), Materials science, Ternary operation, Condensed matter physics, Degree (music), Plane (geometry), Ambient pressure, Brittleness, Thermodynamics, Composite material, Physics, Optics, Mathematics, Geometry, Programming language, Acoustics, Creep, Computer scienceTop concepts (fields/topics) attached by OpenAlex
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0Total citation count in OpenAlex
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10Other works algorithmically related by OpenAlex
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| abstract_inverted_index.remains | 35 |
| abstract_inverted_index.results | 27 |
| abstract_inverted_index.ternary | 31 |
| abstract_inverted_index.although | 63 |
| abstract_inverted_index.analysis | 47 |
| abstract_inverted_index.compound | 32 |
| abstract_inverted_index.indicate | 28 |
| abstract_inverted_index.pressure | 39 |
| abstract_inverted_index.augmented | 7 |
| abstract_inverted_index.decreases | 91 |
| abstract_inverted_index.different | 24 |
| abstract_inverted_index.ductility | 69 |
| abstract_inverted_index.intrinsic | 59 |
| abstract_inverted_index.meantime, | 97 |
| abstract_inverted_index.performed | 12, 49 |
| abstract_inverted_index.pressure, | 62, 94 |
| abstract_inverted_index.pressure. | 77, 118 |
| abstract_inverted_index.projected | 6 |
| abstract_inverted_index.anisotropy | 85, 90, 107 |
| abstract_inverted_index.electronic | 19 |
| abstract_inverted_index.increasing | 65, 76, 93 |
| abstract_inverted_index.plane-wave | 8 |
| abstract_inverted_index.pressures. | 25 |
| abstract_inverted_index.principles | 1 |
| abstract_inverted_index.properties | 20 |
| abstract_inverted_index.brittleness | 60 |
| abstract_inverted_index.interesting | 100 |
| abstract_inverted_index.investigate | 14 |
| abstract_inverted_index.structural, | 16 |
| abstract_inverted_index.calculations | 2 |
| abstract_inverted_index.mechanically | 36 |
| abstract_inverted_index.(1-10)-(100)-(010) | 114 |
| cited_by_percentile_year | |
| countries_distinct_count | 1 |
| institutions_distinct_count | 5 |
| citation_normalized_percentile.value | 0.06100656 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |