Spin fluctuations in nearly magnetic metals from ab - initio dynamical spin susceptibility calculations : application to Pd and Cr
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چکیده
Spin fluctuations in nearly magnetic metals from ab-initio dynamical spin susceptibility calculations: application to P d and Cr 95 V 5 Abstract We describe our theoretical formalism and computational scheme for making ab-initio calculations of the dynamic paramagnetic spin susceptibilities of metals and alloys at finite temperatures. Its basis is Time-Dependent Density Functional Theory within an electronic multiple scattering, imaginary time Green function formalism. Results receive a natural interpretation in terms of overdamped oscillator systems making them suitable for incorporation into spin fluctuation theories. For illustration we apply our method to the nearly ferromagnetic metal P d and the nearly antiferromagnetic chromium alloy Cr 95 V 5. We compare and contrast the spin dynamics of these two metals and in each case identify those fluctuations with relaxation times much longer than typical electronic 'hopping times'.
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