TY - JOUR
T1 - Multistep approach to microscopic models for frustrated quantum magnets
T2 - The case of the natural mineral azurite
AU - Jeschke, Harald Olaf
AU - Opahle, Ingo
AU - Kandpal, Hem
AU - Valentí, Roser
AU - Das, Hena
AU - Saha-Dasgupta, Tanusri
AU - Janson, Oleg
AU - Rosner, Helge
AU - Brühl, Andreas
AU - Wolf, Bernd
AU - Lang, Michael
AU - Richter, Johannes
AU - Hu, Shijie
AU - Wang, Xiaoqun
AU - Peters, Robert
AU - Pruschke, Thomas
AU - Honecker, Andreas
PY - 2011/5/23
Y1 - 2011/5/23
N2 - The natural mineral azurite Cu3(CO3) 2(OH)2 is a frustrated magnet displaying unusual and controversially discussed magnetic behavior. Motivated by the lack of a unified description for this system, we perform a theoretical study based on density functional theory as well as state-of-the-art numerical many-body calculations. We propose an effective generalized spin-1/2 diamond chain model which provides a consistent description of experiments: low-temperature magnetization, inelastic neutron scattering, nuclear magnetic resonance measurements, magnetic susceptibility as well as new specific heat measurements. With this study we demonstrate that the balanced combination of first principles with powerful many-body methods successfully describes the behavior of this frustrated material.
AB - The natural mineral azurite Cu3(CO3) 2(OH)2 is a frustrated magnet displaying unusual and controversially discussed magnetic behavior. Motivated by the lack of a unified description for this system, we perform a theoretical study based on density functional theory as well as state-of-the-art numerical many-body calculations. We propose an effective generalized spin-1/2 diamond chain model which provides a consistent description of experiments: low-temperature magnetization, inelastic neutron scattering, nuclear magnetic resonance measurements, magnetic susceptibility as well as new specific heat measurements. With this study we demonstrate that the balanced combination of first principles with powerful many-body methods successfully describes the behavior of this frustrated material.
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U2 - 10.1103/PhysRevLett.106.217201
DO - 10.1103/PhysRevLett.106.217201
M3 - Article
C2 - 21699334
AN - SCOPUS:79960641111
VL - 106
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 21
M1 - 217201
ER -