Pseudopotential Study of Bonding in the Superionic Material AgI
スポンサーリンク
概要
- 論文の詳細を見る
Tlte bonding nature of the superionic material Agl is studied by using apseudopotential theory. The result is compared with that for GaAs, which is a well-known semiconductor, It is found that the real space valence electron distribution be-tween these compounds differs qualitatively, and that. the bonding in Agl is defer-mined mainly by the iodine. It is also suggested that the local electronic excitationsfrom the bonding to the antibonding orbitals can trigger the migration of the mobilespecies, initiating in thins way the superionic transport.
- 1992-12-15
著者
関連論文
- Anomalous Cation-Cation Interactions in Molten CuI : Ab initio Molecular-Dynamics Simulations(Condensed Matter : Structure, Mechanical and Thermal Properties)
- Pseudopotential Study of Bonding in the Superionic Material AgI
- Ab Initio Molecular-Dynamics Study of Static Structure and Bonding Properties of Molten AgI(Condensed matter: structure and mechanical and thermal properties)
- On the Low-Energy Excitation in Cation Superionic Conductors
- Relaxation Time of Local Ion Distribution in Superionic Conductors
- Collective Motion in Liquid Silver Chalcogenides(Condensed Matter : Structure, Mechanical and Thermal Properties)
- Screened Coulomb Model in a Uniform Background Charge for Temperature Dependence of the Structure of Liquid Li_4Pb
- A Simple Formulation of Bond Fluctuations in Superionic Conductors
- Model for the Temperature Dependence of the Static Structure of Liquid Li_4Pb
- Diffusion of Mobile Ions and Bond Fluctuations in Superionic Conductor CuI from ab initio Molecular-Dynamics Simulations
- Model for the Temperature Dependence of the Structure of Liquid Li_Ag_
- Effective Charges of Agl and CuX (X=Cl,Br,I)
- Diffusion Mechanism of Ag ions in Superionic Conductor Ag_2Se from Ab Initio Molecular-Dynamics Simulations(Condensed Matter : Structure, Mechanical and Thermal Properties)
- Diffusion of Mobile Ions and Bond Fluctuations in Superionic Conductor CuI from ab initio Molecular-Dynamics Simulations
- Collective Motion in Liquid Silver Chalcogenides(Condensed Matter : Structure, Mechanical and Thermal Properties)