Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure – A first-principles study
First-principles calculations for CdSe and CdTe nanostructures were carried out to study their mechanical properties and band structure under the uniaxial pressure range of 0 to 50 GPa. It was presumed that the CdSe and CdTe nanostructures exist in the zinc-blende phase under high pressure. The mech...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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University of Novi Sad
2019-06-01
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| Series: | Processing and Application of Ceramics |
| Subjects: | |
| Online Access: | http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2044%2002.pdf |
| _version_ | 1818218540675629056 |
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| author | Natarajan Kishore Veerappan Nagarajan Ramanathan Chandiramouli |
| author_facet | Natarajan Kishore Veerappan Nagarajan Ramanathan Chandiramouli |
| author_sort | Natarajan Kishore |
| collection | DOAJ |
| description | First-principles calculations for CdSe and CdTe nanostructures were carried out to study their mechanical properties and band structure under the uniaxial pressure range of 0 to 50 GPa. It was presumed that the CdSe and CdTe nanostructures exist in the zinc-blende phase under high pressure. The mechanical properties, such as elastic constants, bulk modulus, shear modulus and Young’s modulus, were explored. Furthermore, Cauchy pressure, Poisson’s ratio and Pugh’s criterion were studied under high pressure for both CdSe and CdTe nanostructures, and the results show that they exhibit ductile property. The band structure studies of CdSe and CdTe were also investigated. The findings show that the mechanical properties and the band structures of CdSe and CdTe can be tailored with high pressure. |
| first_indexed | 2024-12-12T07:25:23Z |
| format | Article |
| id | doaj.art-f0a1ba2d8d0648648ab5fc63a8858d18 |
| institution | Directory Open Access Journal |
| issn | 1820-6131 2406-1034 |
| language | English |
| last_indexed | 2024-12-12T07:25:23Z |
| publishDate | 2019-06-01 |
| publisher | University of Novi Sad |
| record_format | Article |
| series | Processing and Application of Ceramics |
| spelling | doaj.art-f0a1ba2d8d0648648ab5fc63a8858d182022-12-22T00:33:11ZengUniversity of Novi SadProcessing and Application of Ceramics1820-61312406-10342019-06-0113212413110.2298/PAC1902124KMechanical properties and band structure of CdSe and CdTe nanostructures at high pressure – A first-principles studyNatarajan Kishore0Veerappan Nagarajan1Ramanathan Chandiramouli2School of Mechanical Engineering, SASTRA Deemed University, Tirumalaisamudram, Thanjavur 613 401, IndiaSchool of Electrical & Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, Thanjavur 613 401, IndiaSchool of Electrical & Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, Thanjavur 613 401, IndiaFirst-principles calculations for CdSe and CdTe nanostructures were carried out to study their mechanical properties and band structure under the uniaxial pressure range of 0 to 50 GPa. It was presumed that the CdSe and CdTe nanostructures exist in the zinc-blende phase under high pressure. The mechanical properties, such as elastic constants, bulk modulus, shear modulus and Young’s modulus, were explored. Furthermore, Cauchy pressure, Poisson’s ratio and Pugh’s criterion were studied under high pressure for both CdSe and CdTe nanostructures, and the results show that they exhibit ductile property. The band structure studies of CdSe and CdTe were also investigated. The findings show that the mechanical properties and the band structures of CdSe and CdTe can be tailored with high pressure.http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2044%2002.pdfCdSeCdTehigh pressureband structureelastic constant |
| spellingShingle | Natarajan Kishore Veerappan Nagarajan Ramanathan Chandiramouli Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure – A first-principles study Processing and Application of Ceramics CdSe CdTe high pressure band structure elastic constant |
| title | Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure – A first-principles study |
| title_full | Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure – A first-principles study |
| title_fullStr | Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure – A first-principles study |
| title_full_unstemmed | Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure – A first-principles study |
| title_short | Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure – A first-principles study |
| title_sort | mechanical properties and band structure of cdse and cdte nanostructures at high pressure a first principles study |
| topic | CdSe CdTe high pressure band structure elastic constant |
| url | http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2044%2002.pdf |
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