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author:

Wen Jun (Wen Jun.) [1] | Duan Chang-Kui (Duan Chang-Kui.) [2] | Yin Min (Yin Min.) [3] | Orlovskii, Yu. V. (Orlovskii, Yu. V..) [4] | Xia Shang-Da (Xia Shang-Da.) [5] | Zhang Yong-Fan (Zhang Yong-Fan.) [6] (Scholars:章永凡)

Indexed by:

EI Scopus SCIE CSCD

Abstract:

The local coordination structures around the doping Yb2+ ions in sodium and potassium halides were calculated by using the first-principles supercell model. Both the cases with and without the charge compensation vacancy in the local environment of the doping Yb2+ were calculated to study the effect of the doping on the local coordination structures of Yb2+. Using the calculated local structures, we obtained the crystal-field parameters for the Yb2+ ions doped in sodium and potassium halides by a method based on the combination of the quantum-chemical calculations and the effective Hamiltonian method. The calculated crystal-field parameters were analyzed and compared with the fitted results.

Keyword:

crystal-field parameters distortion local coordination structure sodium and potassium halides

Community:

  • [ 1 ] [Wen Jun]Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
  • [ 2 ] [Duan Chang-Kui]Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
  • [ 3 ] [Yin Min]Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
  • [ 4 ] [Xia Shang-Da]Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
  • [ 5 ] [Orlovskii, Yu. V.]Prokhorov Gen Phys Inst RAS, Moscow 119991, Russia
  • [ 6 ] [Orlovskii, Yu. V.]Univ Tartu, Inst Phys, EE-51014 Tartu, Estonia
  • [ 7 ] [Zhang Yong-Fan]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • [Duan Chang-Kui]Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China

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Source :

CHINESE PHYSICS B

ISSN: 1674-1056

CN: 11-5639/O4

Year: 2012

Issue: 3

Volume: 21

1 . 1 4 8

JCR@2012

1 . 5 0 0

JCR@2023

ESI Discipline: PHYSICS;

JCR Journal Grade:3

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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