antiferromagnetism;
density-functional calculations;
local spin-density approximation;
spin density waves;
D O I:
10.1016/S0304-8853(00)00896-9
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
Recent applications of and approximations to a novel density-functional approach to spin-density waves and antiferromagnetic systems are outlined. The nonlocal nature of the antiferromagnetic correlations and possible noncollinearity in spin space are described by a new fundamental variable, the staggered density, which supplements the spin densities of conventional density-functional theory. (C) 2001 Elsevier Science B.V. All rights reserved.