SEEKING THE POSSIBILITY OF QUANTUM TRANSPORT IN IONIC/SUPERIONIC SOLIDS
Present papers deals with the possibility of ionic/electronic quantum transport in ionic/superionic solids. This is a preliminary study in which AgI in its ionic/superionic phase is considered as specimen. In the first part the electronic band structure of the regime is analyzed by adopting the standard Kohn-Sham self consistent density functional method in the local density approximations. The SIESTA program is used for all the related computation. In the further step all the possibilities of electronic/ionic transport properties are studied using TRANSIESTA module. This method is based on using non-equilibrium Green’s functions (NEGF) those are constructed using the density functional theory and the Hamiltonian obtained from given electron density.
Quantum transport Self consistent density functional method Green function Transport properties
MOHAN L. VERMA B. KESHAV RAO HOMENDRA SAHU
Condensed Matter Physics Research Laboratory Department of Applied Physics Shri Shankaracharya Col Condensed Matter Physics Research Laboratory Department of Applied Physics Shri Shankaracharya Colle
国际会议
The 12th Asian Conference on Solid State Ionics(第十二届亚洲固态离子学会议暨第十五届中国固态离子学会议)
武汉
英文
431-438
2010-05-02（万方平台首次上网日期，不代表论文的发表时间）