Anomalous breakdown of Bloch's rule in the Mott-Hubbard insulator MnTe2

Chatterji, Tapan; Dos Santos, Antonio Moreira; Molaison, Jamie J.; Hansen, Thomas C.; Klotz, Stefan; Tucker, Matthew G.; Samanta, Kartik; Saha-Dasgupta, Tanursi

doi:10.1103/PhysRevB.91.104412

Title: Anomalous breakdown of Bloch's rule in the Mott-Hubbard insulator MnTe₂

Journal Article · Tue Mar 17 00:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.91.104412· OSTI ID:1265660

Chatterji, Tapan ^[1]; Dos Santos, Antonio Moreira ^[2]; Molaison, Jamie J. ^[2]; Hansen, Thomas C. ^[1]; Klotz, Stefan ^[3]; Tucker, Matthew G. ^[4]; Samanta, Kartik ^[5]; Saha-Dasgupta, Tanursi ^[5]

Institut Laue-Langevin, Grenoble Cedex (France)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. Pierre et Marie Curie, Paris (France)
Rutherford Appleton Lab., Didcot (United Kingdom)
S.N. Bose National Centre for Basic Sciences, Kolkata (India)

Here, we reinvestigate the pressure dependence of the crystal structure and antiferromagnetic phase transition in MnTe₂ using the rigorous and reliable tool of high-pressure neutron powder diffraction. First-principles density functional theory calculations are carried out in order to gain microscopic insight. The measured N eel temperature of MnTe₂ is found to show unusually large pressure dependence of 12 K GPa^–1. This gives rise to a large violation of Bloch s rule given by α = d log T_N/d log V = –10/3 ≈ –3.3, to an value of –6.0 ± 0.1 for MnTe₂. The ab initio calculation of the electronic structure and the magnetic exchange interactions in MnTe₂ for the measured crystal structures at different pressures indicates the pressure dependence of the Neel temperature α is –5.61, in close agreement with experimental findings. The microscopic origin of this behavior turns out to be dictated by the distance dependence of the cation-anion hopping interaction strength.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1265660

Alternate ID(s):: OSTI ID: 1181536

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 91, Issue 10; ISSN 1098-0121

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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