Re: [Wien] Number of surface dangling bonds

2014-02-17 Thread Oleg Rubel
I did not work with surfaces of metals, but in the case of compound semiconductors you actually count the number of electrons per dangling bond. For example in GaAs there are 2e per bond: 3/4e from Ga and 5/4e from As (group III and V, respectively). At the surface, dangling electrons will transfer

[Wien] Number of surface dangling bonds

2014-02-17 Thread Salman Zarrini
Dear Wien2k users, The rates of surface dangling bonds can be represented in the surfaces energy, however, I was wondering if there are any other ways to number the surface dangling bonds of a multi-element metallic surface? Cheers, Salman ___