694 citations · 5k across the 123 of their papers we have counts for
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Microscopic modeling of a spin crossover transition
Harald O. Jeschke, L. Andrea Salguero, Badiur Rahaman +5
In spin crossover materials, an abrupt phase transition between a low spin state and a high spin state can be driven by temperature, pressure or by light irradiation. Of a special…
Structure, bonding and magnetism in cobalt clusters
S. Datta, M. Kabir, S. Ganguly +3
The structural, electronic and magnetic properties of Co clusters (20) have been investigated using density functional theory within the pseudopotential plane wave method…
Proposed low energy model Hamiltonian for spin-gapped system CuTe2O5
Hena Das, T. Saha-Dasgupta, Claudius Gros +1
Using first-principles electronic structure calculations based on the Nth order muffin tin orbital (NMTO)-downfolding technique, we derived the low-energy spin model for CuTe2O5. O…
Effects of Two Energy Scales in Weakly Dimerized Antiferromagnetic Quantum Spin Chains
A. Brühl, B. Wolf, V. Pashchenko +9
By means of thermal expansion and specific heat measurements on the high-pressure phase of (VO)PO, the effects of two energy scales of the weakly dimerized antiferromag…
Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3
A. I. Poteryaev, J. M. Tomczak, S. Biermann +5
We present a study of the paramagnetic metallic and insulating phases of vanadium sesquioxide by means of the th order muffin-tin orbital implementation of density functional th…
Theoretical study of doped-TlMnO and TlMnO under pressure
Molly De Raychaudhury, T. Saha-Dasgupta, D. D. Sarma
Using first-principles density functional based calculations, we study the effect of doping and pressure in manganese based pyrochlore compound,TlMnO that exhibit…