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Author | Bafekry, A. | ||||
Title | Graphene-like BC₆N single-layer: tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule | Type | A1 Journal article | ||
Year | 2020 | Publication | Physica E-Low-Dimensional Systems & Nanostructures | Abbreviated Journal | Physica E |
Volume | 118 | Issue | Pages | 113850-15 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | By using density functional theory-based first-principles calculations, we investigate the structural, electronic, optical, and transport properties of pristine single-layer BC6N. Under different external actions and functionalization. Increasing the thickness of the structure results in a decrease of the band gap. Applying a perpendicular electric field decreases the band gap and a semiconductor-to-topological insulator transition is revealed. Uniaxial and biaxial strains of +8% result in a semiconductor-to-metal transition. Nanoribbons of BC6N having zigzag edge with even (odd) values of widths, become metal (semiconductor), while the armchair edge nanoribbons exhibit robust semiconducting behavior. In addition, we systematically investigate the effect of surface adatom and molecule, substitutional impurity and defect engineering on the electronic properties of single-layer BC6N and found transitions from metal to half-metal, to ferromagnetic metal, to dilute magnetic semiconductor, and even to spin-glass semiconductor. Furthermore we found that, topological defects including vacancies and Stone–Wales type, induce magnetism in single-layer BC6N. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000515321700032 | Publication Date | 2019-12-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1386-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.3 | Times cited | 30 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.3; 2020 IF: 2.221 | ||
Call Number | UA @ admin @ c:irua:169750 | Serial | 6530 | ||
Permanent link to this record | |||||
Author | Bafekry, A. | ||||
Title | Investigation of the effects of defects and impurities on nanostructures consisting of Group IV and V elements using First-principles calculations | Type | Doctoral thesis | ||
Year | 2020 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 126 p. | ||
Keywords | Doctoral thesis; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | |||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | Additional Links | UA library record | ||
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:168738 | Serial | 6554 | ||
Permanent link to this record |