Putative hybridization gap in under applied pressure
Abstract
Here, we study electrical transport measurements on single crystals under applied pressure. At ambient pressure and high temperatures, behaves as a single-band semimetal hosting Néel order at TN = 150 K. At low temperatures, multiband behavior emerges along with an activated behavior typical of degenerate semiconductors. The activation gap is estimated to be Δ~ 20 K. Applied pressure not only favors the antiferromagnetic order at a rate of 0.40(2) K/kbar, but it also enhances the activation gap at 20 kbar by about 70%. This gap enhancement is usual of correlated narrow-gap semiconductors such as FeSi and Ce3Bi4Pt3, and it places as a Mn-based hybridization-gap semiconductor candidate. Ab initio calculations based on density functional theory are demonstrated to be insufficient to describe the ground state of .
- Authors:
-
- Univ. of Campinas (UNICAMP), Sao Paulo (Brazil); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Univ. of California, Irvine, CA (United States)
- Univ. of Campinas (UNICAMP), Sao Paulo (Brazil)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1561083
- Alternate Identifier(s):
- OSTI ID: 1546428
- Report Number(s):
- LA-UR-19-28476
Journal ID: ISSN 2469-9950; PRBMDO; TRN: US2000588
- Grant/Contract Number:
- 89233218CNA000001
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 100; Journal Issue: 4; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Moda Piva, Mario, Thomas, Sean Michael, Fisk, Zachary, Zhu, J. -X., Thompson, Joe David, Pagliuso, P. G., and Ferrari Silveira Rosa, Priscila. Putative hybridization gap in CaMn2Bi2 under applied pressure. United States: N. p., 2019.
Web. doi:10.1103/PhysRevB.100.045108.
Moda Piva, Mario, Thomas, Sean Michael, Fisk, Zachary, Zhu, J. -X., Thompson, Joe David, Pagliuso, P. G., & Ferrari Silveira Rosa, Priscila. Putative hybridization gap in CaMn2Bi2 under applied pressure. United States. https://doi.org/10.1103/PhysRevB.100.045108
Moda Piva, Mario, Thomas, Sean Michael, Fisk, Zachary, Zhu, J. -X., Thompson, Joe David, Pagliuso, P. G., and Ferrari Silveira Rosa, Priscila. Mon .
"Putative hybridization gap in CaMn2Bi2 under applied pressure". United States. https://doi.org/10.1103/PhysRevB.100.045108. https://www.osti.gov/servlets/purl/1561083.
@article{osti_1561083,
title = {Putative hybridization gap in CaMn2Bi2 under applied pressure},
author = {Moda Piva, Mario and Thomas, Sean Michael and Fisk, Zachary and Zhu, J. -X. and Thompson, Joe David and Pagliuso, P. G. and Ferrari Silveira Rosa, Priscila},
abstractNote = {Here, we study electrical transport measurements on CaMn2Bi2 single crystals under applied pressure. At ambient pressure and high temperatures, CaMn2Bi2 behaves as a single-band semimetal hosting Néel order at TN = 150 K. At low temperatures, multiband behavior emerges along with an activated behavior typical of degenerate semiconductors. The activation gap is estimated to be Δ~ 20 K. Applied pressure not only favors the antiferromagnetic order at a rate of 0.40(2) K/kbar, but it also enhances the activation gap at 20 kbar by about 70%. This gap enhancement is usual of correlated narrow-gap semiconductors such as FeSi and Ce3Bi4Pt3, and it places CaMn2Bi2 as a Mn-based hybridization-gap semiconductor candidate. Ab initio calculations based on density functional theory are demonstrated to be insufficient to describe the ground state of CaMn2Bi2.},
doi = {10.1103/PhysRevB.100.045108},
journal = {Physical Review B},
number = 4,
volume = 100,
place = {United States},
year = {Mon Jul 08 00:00:00 EDT 2019},
month = {Mon Jul 08 00:00:00 EDT 2019}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Magnetic, transport, and thermal properties of single crystals of the layered arsenide
journal, March 2009
- Singh, Yogesh; Ellern, A.; Johnston, D. C.
- Physical Review B, Vol. 79, Issue 9
Pressure dependence of the resistivity and magnetoresistance in single-crystal
journal, October 1996
- Khazeni, K.; Jia, Y. X.; Crespi, Vincent H.
- Journal of Physics: Condensed Matter, Vol. 8, Issue 41
Strong magnetic correlations to 900 K in single crystals of the trigonal antiferromagnetic insulators and
journal, September 2016
- Sangeetha, N. S.; Pandey, Abhishek; Benson, Zackery A.
- Physical Review B, Vol. 94, Issue 9
Thermal expansion of at ambient and high pressures
journal, October 1992
- Kwei, G. H.; Lawrence, J. M.; Canfield, P. C.
- Physical Review B, Vol. 46, Issue 13
Crystals, magnetic and electronic properties of a new ThCr2Si2-type BaMn2Bi2 and K-doped compositions
journal, August 2013
- Saparov, Bayrammurad; Sefat, Athena S.
- Journal of Solid State Chemistry, Vol. 204
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Hybrid functionals based on a screened Coulomb potential
journal, May 2003
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 118, Issue 18
Nonmonotonic and anisotropic magnetoresistance effect in antiferromagnet
journal, April 2018
- Kawaguchi, N.; Urata, T.; Hatano, T.
- Physical Review B, Vol. 97, Issue 14
Thermoelectricity in correlated narrow-gap semiconductors
journal, April 2018
- Tomczak, Jan M.
- Journal of Physics: Condensed Matter, Vol. 30, Issue 18
Antiferromagnetism in semiconducting and single crystals
journal, January 2018
- Sangeetha, N. S.; Smetana, V.; Mudring, A. -V.
- Physical Review B, Vol. 97, Issue 1
Substitutional effects on the electronic transport of the Kondo semiconductor
journal, December 1994
- Hundley, M. F.; Canfield, P. C.; Thompson, J. D.
- Physical Review B, Vol. 50, Issue 24
Nematicity and quantum paramagnetism in FeSe
journal, September 2015
- Wang, Fa; Kivelson, Steven A.; Lee, Dung-Hai
- Nature Physics, Vol. 11, Issue 11
Angle-resolved photoemission observation of Mn-pnictide hybridization and negligible band structure renormalization in and
journal, October 2016
- Zhang, W. -L.; Richard, P.; van Roekeghem, A.
- Physical Review B, Vol. 94, Issue 15
Magnetic and electronic properties of : A possible hybridization gap semiconductor
journal, February 2015
- Gibson, Q. D.; Wu, H.; Liang, T.
- Physical Review B, Vol. 91, Issue 8
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Electron and hole transport in bismuth
journal, October 1972
- Michenaud, J. - P.; Issi, J. -P
- Journal of Physics C: Solid State Physics, Vol. 5, Issue 21
Magnetic and structural phase diagram of CaMn Sb
journal, November 2012
- Simonson, J. W.; Smith, G. J.; Post, K.
- Physical Review B, Vol. 86, Issue 18
Metallic behavior induced by potassium doping of the trigonal antiferromagnetic insulator
journal, July 2016
- Anand, V. K.; Johnston, D. C.
- Physical Review B, Vol. 94, Issue 1
Orbital-driven nematicity in FeSe
journal, November 2014
- Baek, S-H.; Efremov, D. V.; Ok, J. M.
- Nature Materials, Vol. 14, Issue 2
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 124, Issue 21
Progress in Heavy-Fermion Superconductivity: Ce115 and Related Materials
journal, January 2012
- D. Thompson, Joe; Fisk, Zachary
- Journal of the Physical Society of Japan, Vol. 81, Issue 1
Hybridization gap in
journal, October 1990
- Hundley, M. F.; Canfield, P. C.; Thompson, J. D.
- Physical Review B, Vol. 42, Issue 10
High-temperature superconductivity in iron-based materials
journal, August 2010
- Paglione, Johnpierre; Greene, Richard L.
- Nature Physics, Vol. 6, Issue 9
Kondo-like behavior near the magnetic instability in : Temperature and pressure dependences of the Sm valence
journal, April 2018
- Emi, N.; Kawamura, N.; Mizumaki, M.
- Physical Review B, Vol. 97, Issue 16
Origin of the charge gap in LaMnPO
journal, November 2014
- McNally, D. E.; Simonson, J. W.; Post, K. W.
- Physical Review B, Vol. 90, Issue 18
High-temperature superconductivity in iron pnictides and chalcogenides
journal, March 2016
- Si, Qimiao; Yu, Rong; Abrahams, Elihu
- Nature Reviews Materials, Vol. 1, Issue 4
What drives nematic order in iron-based superconductors?
journal, January 2014
- Fernandes, R. M.; Chubukov, A. V.; Schmalian, J.
- Nature Physics, Vol. 10, Issue 2
A Mott insulator continuously connected to iron pnictide superconductors
journal, December 2016
- Song, Yu; Yamani, Zahra; Cao, Chongde
- Nature Communications, Vol. 7, Issue 1
High pressures and the Kondo gap in s
journal, March 1997
- Cooley, J. C.; Aronson, M. C.; Canfield, P. C.
- Physical Review B, Vol. 55, Issue 12
Resistivity and Magnetism of AMn2P2 (A = Sr, Ba): The Effect of Structure Type on Physical Properties
journal, December 1994
- Brock, Stephanie L.; Greedan, J. E.; Kauzlarich, Susan M.
- Journal of Solid State Chemistry, Vol. 113, Issue 2
Pressure-induced changes in the electronic structure of solids
journal, May 1986
- McMahan, A. K.
- Physica B+C, Vol. 139-140
Antiferromagnetic ordering in the absence of structural distortion in
journal, December 2010
- Kim, M. G.; Kreyssig, A.; Thaler, A.
- Physical Review B, Vol. 82, Issue 22
Variable-range hopping conductivity and structure of density of localized states in LaMnO 3+δ under pressure
journal, October 2006
- Laiho, R.; Lisunov, K. G.; Lähderanta, E.
- Journal of Physics: Condensed Matter, Vol. 18, Issue 45
Strain-Driven Approach to Quantum Criticality in with , Rb, and Cs
journal, June 2016
- Eilers, Felix; Grube, Kai; Zocco, Diego A.
- Physical Review Letters, Vol. 116, Issue 23
Possible unconventional superconductivity in substituted BaFe2As2 revealed by magnetic pair-breaking studies
journal, September 2014
- Rosa, P. F. S.; Adriano, C.; Garitezi, T. M.
- Scientific Reports, Vol. 4, Issue 1
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020
- Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna
- Scientific Reports, Vol. 10, Issue 1
High-temperature superconductivity in iron-based materials
text, January 2010
- Paglione, Johnpierre; Greene, Richard L.
- arXiv
Crystals, magnetic and electronic properties of a new ThCr2Si2-type BaMn2Bi2 and K-doped compositions
text, January 2013
- Saparov, Bayrammurad; Sefat, Athena S.
- arXiv
High Temperature Superconductivity in Iron Pnictides and Chalcogenides
text, January 2016
- Si, Qimiao; Yu, Rong; Abrahams, Elihu
- arXiv
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