First-principles prediction of an enhanced optical second-harmonic susceptibility of low-dimensional alkali-metal chalcogenides

Cited 41 time in webofscience Cited 0 time in scopus
  • Hit : 339
  • Download : 0
Fully first-principles calculations for the second-harmonic susceptibilities of recently synthesized alkali-metal chalcogenides such as KPSe(6), K(2)P(2)Se(6), LiAsS(2), and NaAsSe(2) predict a record-breaking second-harmonic generation coefficient among materials with band gaps larger than 1.0 eV, with the highest value being that for NaAsSe(2), namely, 324.6 pm/V. A detailed analysis of their highly precise full-potential linearized augmented plane-wave electronic structures suggests that it is a quasi-one-dimensional structural anisotropy with a strong covalent character that yields the very large second-harmonic coefficients.
Publisher
AMER PHYSICAL SOC
Issue Date
2009-06
Language
English
Article Type
Article
Keywords

PHASE-CHANGE PROPERTIES; PLANE-WAVE METHOD; ELECTRONIC-STRUCTURE; SEMICONDUCTORS; RB

Citation

PHYSICAL REVIEW B, v.79, no.24

ISSN
1098-0121
DOI
10.1103/PhysRevB.79.245203
URI
http://hdl.handle.net/10203/102570
Appears in Collection
NT-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 41 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0