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Pressure Effects on the Band Structure of BCC Lithiumwith Substitutional Hydrogen Defect
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Zhi-Ming LIU1, Tian CUI1, Wen-Jiong HE1, Guang-Tian ZOU1, Meng-Fu WEI2, Chang-An CHEN2
Chinese Journal of High Pressure Physics | 2005, 19(1) : 5 - 9
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Chinese Journal of High Pressure Physics | 2005, 19(1): 5-9
Pressure Effects on the Band Structure of BCC Lithiumwith Substitutional Hydrogen Defect
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Zhi-Ming LIU1, Tian CUI1, Wen-Jiong HE1, Guang-Tian ZOU1, Meng-Fu WEI2, Chang-An CHEN2
Affiliations
  • 1.National Laboratory of Superhard Material, Jilin University, Changchun 130012, China
  • 2.China Academy of Engineering Physics, Mianyang 621900, China
Published: 2005-03-05
Outline
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The pressure effects on the band structure of bcc lithium with substitutional hydrogen defect are studied by using ab initio pseudopotential-plane wave method at 0 K temperature. Even though the impurity hydrogen atom localizes a free electron in the sea of metallic valence electrons, the doped system still acts as metal, but an isolated band and a band gap appear under Fermi level, the lowest metallic band is distorted at Gamma point, and elsewhere in other conduction and valence bands. When pressures applied on the system, the band gap is widened and the isolated band tends to be stretched horizontally into a line, just like an energy level.

ab initio  /  band structure  /  pressure effect  /  impurity  /  lithium
刘志明, 崔田, 何文炯, 邹广田, 韦孟伏, 陈长安. 压力下替位氢对金属锂能带结构的影响. 高压物理学报, 2005 , 19 (1) : 5 -9 .
Zhi-Ming LIU, Tian CUI, Wen-Jiong HE, Guang-Tian ZOU, Meng-Fu WEI, Chang-An CHEN. Pressure Effects on the Band Structure of BCC Lithiumwith Substitutional Hydrogen Defect[J]. Chinese Journal of High Pressure Physics, 2005 , 19 (1) : 5 -9 .
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Year 2005 volume 19 Issue 1
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Article Info
  • Receive Date：2004-04-21
  • Online Date：2026-10-31
  • Published：2005-03-05
Article Data
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History
  • Received：2004-04-21
  • Revised：2004-06-30
Funding
Affiliations
    1.National Laboratory of Superhard Material, Jilin University, Changchun 130012, China
    2.China Academy of Engineering Physics, Mianyang 621900, China
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Citations
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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