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Pressure Effect on Geometric Structure of Ge R8 Phase and Its Electronic Properties
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Meng-Ya LÜ1, 2, Zhou-Wen CHEN1, Wen-Kui WANG1, Ri-Ping LIU1
Chinese Journal of High Pressure Physics | 2006, 20(3) : 291 - 295
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Chinese Journal of High Pressure Physics | 2006, 20(3): 291-295
Pressure Effect on Geometric Structure of Ge R8 Phase and Its Electronic Properties
Full
Meng-Ya LÜ1, 2, Zhou-Wen CHEN1, Wen-Kui WANG1, Ri-Ping LIU1
Affiliations
  • 1.Key Laboratory of Metastable Materials Science & Technology, Yanshan University, Qinhuangdao 066004, China
  • 2.College of Information Science and Engineering, Yanshan University, Qinhuangdao 066004, China
Published: 2006-09-05
Outline
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The electronic structure of Ge R8 phase has been investigated by first-principles method based on plane-wave basis, using norm-conserving pseudopotential and local density approximation. The dependence of structural parameters including lattice constants, rhombohedral angle, and atomic coordinates on pressure was also studied. The computed energy band-structure indicates that Ge R8 phase is a semimetal. Analysis of the total density of states and partial density of states shows a sharpening of valence-band edge, and the distribution of orbits was considered. At the same time, the variation of two different bond lengths was given along pressure which decreases with the increase of pressure; the underlying mechanism is also discussed.

R8 phase  /  first-principles method  /  electronic structure
吕梦雅, 陈洲文, 王文魁, 刘日平. 锗R8相结构的压力效应及电子性质. 高压物理学报, 2006 , 20 (3) : 291 -295 .
Meng-Ya LÜ, Zhou-Wen CHEN, Wen-Kui WANG, Ri-Ping LIU. Pressure Effect on Geometric Structure of Ge R8 Phase and Its Electronic Properties[J]. Chinese Journal of High Pressure Physics, 2006 , 20 (3) : 291 -295 .
Year 2006 volume 20 Issue 3
28
4
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Article Info
  • Receive Date:2005-06-30
  • Online Date:2026-11-01
  • Published:2006-09-05
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  • Received:2005-06-30
  • Revised:2005-10-22
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    1.Key Laboratory of Metastable Materials Science & Technology, Yanshan University, Qinhuangdao 066004, China
    2.College of Information Science and Engineering, Yanshan University, Qinhuangdao 066004, 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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