Charge and spin fluctuations in the density functional theory

Conference · Mon Jan 01 00:00:00 EST 1990

OSTI ID:6217271

Gyoerffy, B L; Barbieri, A ^[1]; Staunton, J B ^[2]; Shelton, W A; Stocks, G M ^[3]

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1. Bristol Univ. (UK). H.H. Wills Physics Lab.
2. Warwick Univ., Coventry (UK). Dept. of Physics
3. Oak Ridge National Lab., TN (USA)

We introduce a conceptual framework which allow us to treat charge and spin fluctuations about the Local density Approximation (LDA) to the Density Functional Theory (DFT). We illustrate the approach by explicit study of the Disordered Local Moment (DLM) state in Fe above the Curie Temperature {Tc} and the Mott insulating state in MnO. 27 refs., 6 figs.

• Research Organization: Oak Ridge National Lab., TN (USA)
• Sponsoring Organization: DOE/ER
• DOE Contract Number: AC05-84OR21400
• OSTI ID: 6217271
• Report Number(s): CONF-9007197-2; ON: DE91007191
• Resource Relation: Conference: Seminar on electronic structure in the 1990's, Bad Honnef (Germany, F.R.), 24-26 Jul 1990
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CHARGE DENSITY
FLUCTUATIONS
SPIN
CURIE POINT
DISTRIBUTION FUNCTIONS
FERMI LEVEL
FREE ENERGY
FUNCTIONALS
GREEN FUNCTION
HAMILTONIANS
HARTREE-FOCK METHOD
IRON
MAGNETIC MOMENTS
MANGANESE OXIDES
PARTITION FUNCTIONS
TEMPERATURE DEPENDENCE
ANGULAR MOMENTUM
CHALCOGENIDES
ELEMENTS
ENERGY
ENERGY LEVELS
FUNCTIONS
MANGANESE COMPOUNDS
MATHEMATICAL OPERATORS
METALS
OXIDES
OXYGEN COMPOUNDS
PARTICLE PROPERTIES
PHYSICAL PROPERTIES
QUANTUM OPERATORS
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
TRANSITION TEMPERATURE
VARIATIONS
656002* - Condensed Matter Physics- General Techniques in Condensed Matter- (1987-)