Published December 15, 1990 | Version v1
Journal article

Ground-state structures and the random-state energy of the Madelung lattice

  • 1. Solar Energy Research Institute, Golden, CO (USA)

Description

We consider the classic Madelung problem of a lattice with N sites labeled i, each occupied by either an A or a B atom, and bearing a point charge Qi that depends on the environment of i. We find that, out of the 2N possible lattice configurations of this binary A1-xBx fcc alloy, the lowest-energy ''ground-state structures'' are the A3B-, A2B2- and AB3-ordered superlattices with ordering vector (1,0,1/2). On the other hand, for the pseudobinary A1-xBxC zinc-blende alloy, the ground state corresponds to phase separation into AC+BC. Contrary to the accepted view, the Madelung energy of the random binary alloy is found to be nonvanishing

Additional details

Publishing Information

Journal Title
Physical Review, B: Condensed Matter
Journal Volume
42
Journal Issue
17
Series
Phys. Rev., B: Condens. Matter.
Journal Page Range
11388-11391
ISSN
0163-1829
CODEN
PRBMD

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
22052984
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
BINARY ALLOY SYSTEMS; CRYSTAL LATTICES; ENERGY; GROUND STATES; POINT CHARGE
Descriptors DEC
ALLOY SYSTEMS; CRYSTAL STRUCTURE; ELECTRIC CHARGES; ENERGY LEVELS