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Effects of the Vacancy Point-Defect on Electronic Structure and Optical Properties of Diamond under High Pressure
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Lin HE, Jun YIN
Chinese Journal of High Pressure Physics | 2013, 27(6) : 802 - 806
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Chinese Journal of High Pressure Physics | 2013, 27(6): 802-806
Effects of the Vacancy Point-Defect on Electronic Structure and Optical Properties of Diamond under High Pressure
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Lin HE, Jun YIN
Affiliations
  • College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610068, China
Published: 2013-12-15
Outline
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By ultra-soft pseudo-potential approach of the plane wave based on the density-functional theory, the electronic structures and optical properties of diamond without and with vacancy point-defects were calculated at 255 GPa. The calculated results show that: at a shock pressure of 255 GPa, shock-induced vacancy point-defects in diamond crystal cause defective states within the band gap, and the optical absorption induced by the vacancy point-defects appears in the visible-light region of ~390-570 nm, and there is the transparency loss of diamond in that region. However, in the visible-light region of ~570-780 nm diamond remains transparent (it's optical- absorption coefficient is still zero). Effects of shock-induced vacancy-defects on reflectivity and loss-function spectrums are similar: main-spectral peak move slightly toward short-wave region, and their intensity decreases to a small degree.

high pressure  /  vacancy point-defect  /  diamond  /  first principles  /  electronic structure  /  optical properties
何林, 尹君. 空位点缺陷对金刚石在高压下的电子结构和光学性质的影响. 高压物理学报, 2013 , 27 (6) : 802 -806 .
Lin HE, Jun YIN. Effects of the Vacancy Point-Defect on Electronic Structure and Optical Properties of Diamond under High Pressure[J]. Chinese Journal of High Pressure Physics, 2013 , 27 (6) : 802 -806 .
Year 2013 volume 27 Issue 6
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Article Info
  • Receive Date:2012-01-17
  • Online Date:2026-11-05
  • Published:2013-12-15
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  • Received:2012-01-17
  • Revised:2012-03-19
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    College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610068, China
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表12种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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