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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2009 · cond-mat.str-elShow all

5 papers · 2 filters

cond-mat.str-el2009★ 27 cited

Interplay of Magnetic Exchange Interactions and Ni-S-Ni Bond Angles in Polynuclear Nickel(II) Complexes

Yulia Krupskaya, Alexey Alfonsov, Anupama Parameswaran +7

The ability of bridging thiophenolate groups to transmit magnetic exchange interactions between paramagnetic Ni(II) ions has been examined. For this purpose, dinuclear and trinucle…

cond-mat.str-el2009★ 58 cited

On the existence of the excitonic insulator phase in the extended Falicov-Kimball model: an SO(2)-invariant slave-boson approach

B. Zenker, D. Ihle, F. X. Bronold +1

We re-examine the three-dimensional spinless Falicov-Kimball model with dispersive electrons at half-filling, addressing the dispute about the formation of an excitonic condens…

cond-mat.str-el2009★ 45 cited

Dynamic spin susceptibility in the t-J model

A. A. Vladimirov, D. Ihle, N. M. Plakida

A relaxation-function theory for the dynamic spin susceptibility in the -- model is presented. By a sum-rule-conserving generalized mean-field approximation (GMFA), the two-s…

cond-mat.str-el2009★ 29 cited

Thermodynamics of layered Heisenberg magnets with arbitrary spin

I. Juhász Junger, D. Ihle, J. Richter

We present a spin-rotation-invariant Green-function theory of long- and short-range order in the ferro- and antiferromagnetic Heisenberg model with arbitrary spin quantum number S…

cond-mat.str-el2009★ 57 cited

Magnetic order in Graphite: Experimental evidence, intrinsic and extrinsic difficulties

P. Esquinazi, J. Barzola-Quiquia, D. Spemann +5

We discuss recently obtained data using different experimental methods including magnetoresistance measurements that indicate the existence of metal-free high-temperature magnetic…