Structural and electronic properties of 9R diamond polytype

X. Y. Xue; R. Q. Zhang; X. H. Zhang

doi:10.1016/j.ssc.2005.06.024

Structural and electronic properties of 9R diamond polytype

X. Y. Xue
, R. Q. Zhang
, X. H. Zhang

Centre of Super-Diamond and Advanced Films

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

11 Citations (Scopus)

Abstract

The electronic and structural properties of 9R diamond are studied by performing density functional (DFT) calculations, and compared with those of four other known polytypes (2H, 3C, 4H, and 6H). The calculated lattice constants, the unit cell energy, and the relative stability of these polytypes all agree well with the experimental sequence of diamond polytypes. It is found that the band gap of the cubic structure is considerably smaller than that of other polytypes. The trend of band gap increasing with the increase of hexagonality that has been found by others with other polytypes is not applicable to 9R polytype. © 2005 Elsevier Ltd. All rights reserved.

Original language	English
Pages (from-to)	41-44
Journal	Solid State Communications
Volume	136
Issue number	1
DOIs	https://doi.org/10.1016/j.ssc.2005.06.024
Publication status	Published - Oct 2005

Research Keywords

A. Diamond
A. Polytype
D. Electronic property

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10.1016/j.ssc.2005.06.024

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title = "Structural and electronic properties of 9R diamond polytype",

abstract = "The electronic and structural properties of 9R diamond are studied by performing density functional (DFT) calculations, and compared with those of four other known polytypes (2H, 3C, 4H, and 6H). The calculated lattice constants, the unit cell energy, and the relative stability of these polytypes all agree well with the experimental sequence of diamond polytypes. It is found that the band gap of the cubic structure is considerably smaller than that of other polytypes. The trend of band gap increasing with the increase of hexagonality that has been found by others with other polytypes is not applicable to 9R polytype. {\textcopyright} 2005 Elsevier Ltd. All rights reserved.",

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author = "Xue, \{X. Y.\} and Zhang, \{R. Q.\} and Zhang, \{X. H.\}",

year = "2005",

month = oct,

doi = "10.1016/j.ssc.2005.06.024",

language = "English",

volume = "136",

pages = "41--44",

journal = "Solid State Communications",

issn = "0038-1098",

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TY - JOUR

T1 - Structural and electronic properties of 9R diamond polytype

AU - Xue, X. Y.

AU - Zhang, R. Q.

AU - Zhang, X. H.

PY - 2005/10

Y1 - 2005/10

N2 - The electronic and structural properties of 9R diamond are studied by performing density functional (DFT) calculations, and compared with those of four other known polytypes (2H, 3C, 4H, and 6H). The calculated lattice constants, the unit cell energy, and the relative stability of these polytypes all agree well with the experimental sequence of diamond polytypes. It is found that the band gap of the cubic structure is considerably smaller than that of other polytypes. The trend of band gap increasing with the increase of hexagonality that has been found by others with other polytypes is not applicable to 9R polytype. © 2005 Elsevier Ltd. All rights reserved.

AB - The electronic and structural properties of 9R diamond are studied by performing density functional (DFT) calculations, and compared with those of four other known polytypes (2H, 3C, 4H, and 6H). The calculated lattice constants, the unit cell energy, and the relative stability of these polytypes all agree well with the experimental sequence of diamond polytypes. It is found that the band gap of the cubic structure is considerably smaller than that of other polytypes. The trend of band gap increasing with the increase of hexagonality that has been found by others with other polytypes is not applicable to 9R polytype. © 2005 Elsevier Ltd. All rights reserved.

KW - A. Diamond

KW - A. Polytype

KW - D. Electronic property

UR - https://www.scopus.com/pages/publications/23844503673

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-23844503673&origin=recordpage

U2 - 10.1016/j.ssc.2005.06.024

DO - 10.1016/j.ssc.2005.06.024

M3 - RGC 21 - Publication in refereed journal

SN - 0038-1098

VL - 136

SP - 41

EP - 44

JO - Solid State Communications

JF - Solid State Communications

IS - 1

ER -

Structural and electronic properties of 9R diamond polytype

Abstract

Research Keywords

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