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Author:

Zhang, F. P. (Zhang, F. P..) | Hao, W. L. (Hao, W. L..) | Zhang, G. L. (Zhang, G. L..) | Qin, G. Q. (Qin, G. Q..) | Qin, S. J. (Qin, S. J..) | Zhang, J. X. (Zhang, J. X..)

Indexed by:

Scopus SCIE

Abstract:

The thermal stabilities, electronic structures, magnetic properties and the charge transfers of the rare earth Cerium hexaborides CeB6 under isostatic pressure of 0 GPa and 1 GPa are systematically investigated in detail within the framework of density functional theory method with pseudopotential approximation. The analyzing results show that the Cerium Boride CeB6 under 1 GPa has relatively lower total energy of -1526.1675 eV than that of Cerium Boride CeB6 under 0 GPa. The Cerium Boride CeB6 under 1 GPa has band gap of 1.305 eV, which is 0.152 eV lower than that of the Cerium Boride CeB6 under 0 GPa of 1.457 eV. The work function of electrons is also decreased by 0.465 eV. There are three energy valleys in the bottom conduction band and four energy peaks in the top valance band, the emission efficiency should be high. The quantity of electrons that are readily to be motivated for emission is larger for Cerium hexaborides CeB6 under 1 GPa. The total partial density of states for Cerium Boride CeB6 under different isostatic pressure is mainly formed by B p electrons. The B should play more important role in electron emission for CeB6 under 1 GPa. The CeB6 under different isostatic pressure is ferromagnetic material. The combination bond effect between B is enhanced for Cerium Boride CeB6 under 1 GPa.

Keyword:

Pressure Cerium hexaborides CeB6 Magnetism Electronic structure

Author Community:

  • [ 1 ] [Zhang, F. P.]Henan Univ Urban Construct, Inst Sci, Henan Prov Engn Lab Bldg Photovolta, Pingdingshan 467036, Henan, Peoples R China
  • [ 2 ] [Zhang, J. X.]Henan Univ Urban Construct, Inst Sci, Henan Prov Engn Lab Bldg Photovolta, Pingdingshan 467036, Henan, Peoples R China
  • [ 3 ] [Zhang, F. P.]Shijiazhuang Tiedao Univ, Sch Mat Sci & Engn, Shijiazhuang 050043, Hebei, Peoples R China
  • [ 4 ] [Zhang, G. L.]Shijiazhuang Tiedao Univ, Sch Mat Sci & Engn, Shijiazhuang 050043, Hebei, Peoples R China
  • [ 5 ] [Qin, G. Q.]Shijiazhuang Tiedao Univ, Sch Mat Sci & Engn, Shijiazhuang 050043, Hebei, Peoples R China
  • [ 6 ] [Qin, S. J.]Shijiazhuang Tiedao Univ, Sch Mat Sci & Engn, Shijiazhuang 050043, Hebei, Peoples R China
  • [ 7 ] [Hao, W. L.]Yunnan Normal Univ, Dept Math, Kunming 650500, Yunnan, Peoples R China
  • [ 8 ] [Zhang, F. P.]Beijing Univ Technol, Coll Mat Sci & Engn, Chinese Minist Educ, Natl Key Lab Adv Funct Mat, Beijing 100124, Peoples R China
  • [ 9 ] [Zhang, J. X.]Beijing Univ Technol, Coll Mat Sci & Engn, Chinese Minist Educ, Natl Key Lab Adv Funct Mat, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Zhang, G. L.]Shijiazhuang Tiedao Univ, Sch Mat Sci & Engn, Shijiazhuang 050043, Hebei, Peoples R China

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Source :

RESULTS IN PHYSICS

ISSN: 2211-3797

Year: 2019

Volume: 14

5 . 3 0 0

JCR@2022

JCR Journal Grade:1

Cited Count:

WoS CC Cited Count: 3

SCOPUS Cited Count: 5

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 11

Online/Total:608/10671963
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