{\it Ab initio} Simulation of Silver Transport in Ge_xSe_1-x: Ag

Details {\it Ab initio} Simulation of Silver Transport in Ge_xSe_1-x: Ag {\it Ab initio} Simulation of Silver Transport in Ge_xSe_1-x: Ag

2005-06-18

arxiv.org/abs/cond-mat/0506471v1

Physics

Condensed Matter

Disordered Systems and Neural Networks

12 Figures, Accepted for Phys. Rev. B

Scientific paper

In this paper, we present models of Ge-Se glasses heavily doped with Ag obtained from {\it ab initio} simulation and study the dynamics of the network with an emphasis on the motion of Ag$^+$ ions. The models are analyzed with partial pair correlation functions, static structure factors and novel wavelet techniques. The electronic properties are characterized by the electronic density of states and analysis of specific electronic eigenstates. As Ag content increases, the optical band gap increases. Ag diffusion is observed directly from thermal simulation. The most diffusive Ag$^+$ ions move preferentially through low density regions of the network and the existence of well-defined trapping centers is confirmed. Preliminary information about temperature dependence of trapping and release is provided.

Affiliated with

Also associated with

No associations

Rating

{\it Ab initio} Simulation of Silver Transport in Ge_xSe_1-x: Ag does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with {\it Ab initio} Simulation of Silver Transport in Ge_xSe_1-x: Ag, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and {\it Ab initio} Simulation of Silver Transport in Ge_xSe_1-x: Ag will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-459074