First-principles study on the Coulomb pseudopotential $μ^*$ of Pd and PdH = Pd과 PdH의 쿨롱 쑤도포텐셜($μ^*$)에 관한 제일원리 연구

Cited 0 time in webofscience Cited 0 time in scopus
  • Hit : 298
  • Download : 0
The Coulomb pseudopotential ($\mu^*$), the important ingredient in the strong-coupling theory, is investigated in non-superconducting Pd and superconducting PdH using the density-functional approach with ab-initio pseudopotential. We first survey the structural properties and electronic structures of both materials, and calculate the full static dielectric matrices. The results indicate that the local field due to the localized 4d electrons significantly affects on the screening and therefore on the $\mu^*$. The calculated $\mu^*$ of Pd and PdH with the full many-body effect and local field effect is 0.153 and 0.104, respectively. The large $\mu^*$ of Pd compared with the assumed one in the McMillan``s $T_c$ equation attributes to the suppression of superconductivity. The $\mu^*$ of PdH represents the large decrease of the Coulomb interaction from that of pure Pd.
Advisors
Chang, Kee-Jooresearcher장기주researcher
Description
한국과학기술원 : 물리학과,
Publisher
한국과학기술원
Issue Date
1999
Identifier
151560/325007 / 000973137
Language
eng
Description

학위논문(석사) - 한국과학기술원 : 물리학과, 1999.2, [ [ii], 26 p. ]

Keywords

Pd; 국소장효과; Density-functional; Coulomb pseudopotential; Superconductivity; Local field effect; 팔라듐; 밀도함수; 쿨롱쑤도포텐셜; 초전도

URI
http://hdl.handle.net/10203/48498
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=151560&flag=dissertation
Appears in Collection
PH-Theses_Master(석사논문)
Files in This Item
There are no files associated with this item.

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0