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

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
 [1];  [2];  [2];  [1];  [3];  [4];  [5];  [5]
  1. Institut Laue-Langevin, Grenoble Cedex (France)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Univ. Pierre et Marie Curie, Paris (France)
  4. Rutherford Appleton Lab., Didcot (United Kingdom)
  5. S.N. Bose National Centre for Basic Sciences, Kolkata (India)
+ Show Author Affiliations

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 TN/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.

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

References (28)

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Cited By (1)

Effect of Mn doping in mechanical properties of Cd 1−x Mn x Te 2 journal September 2019

Figures / Tables (10)

FIG. 1(p. 3)figure FIG. 1
FIG. 2(p. 3)figure FIG. 2
FIG. 3(p. 4)figure FIG. 3
FIG. 4(p. 5)figure FIG. 4
FIG. 5(p. 5)figure FIG. 5
FIG. 6(p. 6)figure FIG. 6
FIG. 7(p. 6)figure FIG. 7
FIG. 8(p. 7)figure FIG. 8
FIG. 10(p. 8)figure FIG. 10
FIG. 9(p. 8)figure FIG. 9

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Related Subjects

36 MATERIALS SCIENCE
MnTe2
Mott-Hubbard Insulator
high pressure
neutron diffraction