The Korringa-Kohn-Rostoker nonlocal coherent-potential approximation : a new method for calculating the electronic structure of disordered metallic systems

Autor: Rowlands, Derwyn Andrew

The limitations of the current 'first-principles' effective medium approach to calculating the electronic structure of disordered systems are described. These limitations can be addressed by a cluster theory, and only very recently the first satisfac

Externí odkaz: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.403639

Effects of short-range order on the electronic structure of disordered metallic systems

Autor: Rowlands, Derwyn A., Staunton, Julie B., Gyorffy, Balazs L., Bruno, Ezio, Ginatempo, Beniamino

Publikováno v: PRB 72, 045101 (2005)

For many years the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA) has been widely used to describe the electronic structure of disordered systems based upon a first-principles description of the crystal potential. However, as a sin

Externí odkaz: http://arxiv.org/abs/cond-mat/0411347

First-principles study on the dielectric and transport properties of the LiNbO3-type CdPbO3.

Autor: Zhang, Jing, Ke, San Huang, Rowlands, Derwyn A.

Publikováno v: International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics; 2/20/2017, Vol. 31 Issue 5, p-1, 13p

First-principles study on the dielectric and transport properties of the LiNbO3-type CdPbO3.

Autor: Zhang, Jing^1,2, Ke, San Huang^1,3, Rowlands, Derwyn A.¹

Publikováno v: International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics. 2/20/2017, Vol. 31 Issue 5, p-1. 13p.