Orbital Isotropy of Magnetic Fluctuations in Correlated Electron Materials Induced by Hund’s Exchange Coupling

This work evaluates the quality of exchange coupling constant and spin crossover gap calculations using density functional theory corrected by the Approximate Projection model. Results show that improvements using the Approximate Projection model range from modest to significant. This study demonstrates that, at least for the class of systems examined here, spin-projection generally improves the quality of density functional theory calculations of J-coupling constants and spin crossover gaps. Furthermore, it is shown that spin-projection can be important for both geometry optimization and energy evaluations. The Approximate Project model provides an affordable and practical approach for effectively correcting spin-contamination errors in molecular exchange coupling constant and spin crossover gap calculations.

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The influence of interlayer exchange coupling on magnetic ordering in Fe/V superlattices

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2008.11.010 ◽

2009 ◽

Vol 321 (9) ◽

pp. 1214-1220 ◽

Cited By ~ 5

Author(s):

M. Marcellini ◽

M. Pärnaste ◽

B. Hjörvarsson ◽

G. Nowak ◽

H. Zabel

Keyword(s):

Exchange Coupling ◽

Magnetic Ordering ◽

Interlayer Exchange Coupling ◽

Interlayer Exchange

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Exchange Coupling of Transition-Metal Ions through Hydrogen Bonding: A Theoretical Investigation

Journal of the American Chemical Society ◽

10.1021/ja0178160 ◽

2002 ◽

Vol 124 (18) ◽

pp. 5197-5205 ◽

Cited By ~ 154

Author(s):

Cédric Desplanches ◽

Eliseo Ruiz ◽

Antonio Rodríguez-Fortea ◽

Santiago Alvarez

Keyword(s):

Hydrogen Bonding ◽

Transition Metal ◽

Metal Ions ◽

Theoretical Investigation ◽

Exchange Coupling ◽

Transition Metal Ions

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Propagation of shear stress in strongly interacting metallic Fermi liquids enhances transmission of terahertz radiation

Scientific Reports ◽

10.1038/s41598-021-86356-2 ◽

2021 ◽

Vol 11 (1) ◽

Author(s):

D. Valentinis ◽

J. Zaanen ◽

D. van der Marel

Keyword(s):

Shear Stress ◽

Terahertz Radiation ◽

Fermi Liquid ◽

Zero Sound ◽

Strongly Correlated Electron ◽

Correlated Electron Systems ◽

Correlated Electron ◽

Collisionless Regime ◽

Propagating Shear ◽

Mass Enhancement

AbstractA highlight of Fermi-liquid phenomenology, as explored in neutral $$^3$$ 3 He, is the observation that in the collisionless regime shear stress propagates as if one is dealing with the transverse phonon of a solid. The existence of this “transverse zero sound” requires that the quasiparticle mass enhancement exceeds a critical value. Could such a propagating shear stress also exist in strongly correlated electron systems? Despite some noticeable differences with the neutral case in the Galilean continuum, we arrive at the verdict that transverse zero sound should be generic for mass enhancement higher than 3. We present an experimental setup that should be exquisitely sensitive in this regard: the transmission of terahertz radiation through a thin slab of heavy-fermion material will be strongly enhanced at low temperature and accompanied by giant oscillations, which reflect the interference between light itself and the “material photon” being the actual manifestation of transverse zero sound in the charged Fermi liquid.

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