Effect of structural distortion on the electronic band structure of NaOsO3 studied within density functional theory and a three-orbital model

Mohapatra, Shubhajyoti; Bhandari, Churna; Satpathy, Sashi; Singh, Avinash

doi:10.1103/physrevb.97.155154

Effect of structural distortion on the electronic band structure of ${NaOsO}_{3}$ studied within density functional theory and a three-orbital model

Journal Article · 01 April 2018 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.97.155154· OSTI ID:1540840

Mohapatra, Shubhajyoti; Bhandari, Churna; Satpathy, Sashi; Singh, Avinash

Not provided.

Research Organization:: Univ. of Missouri, Columbia, MO (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: FG02-00ER45818

OSTI ID:: 1540840

Journal Information:: Physical Review B, Vol. 97, Issue 15; ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (16)

Continuous metal-insulator transition of the antiferromagnetic perovskite NaOsO 3 Shi, Y. G.; Guo, Y. F.; Yu, S. Physical Review B, Vol. 80, Issue 16 https://doi.org/10.1103/PhysRevB.80.161104	journal	October 2009
Magnetically Driven Metal-Insulator Transition in NaOsO 3 Calder, S.; Garlea, V. O.; McMorrow, D. F. Physical Review Letters, Vol. 108, Issue 25 https://doi.org/10.1103/PhysRevLett.108.257209	journal	June 2012
Strongly gapped spin-wave excitation in the insulating phase of NaOsO 3 Calder, S.; Vale, J. G.; Bogdanov, N. Physical Review B, Vol. 95, Issue 2 https://doi.org/10.1103/PhysRevB.95.020413	journal	January 2017
Frustrated fcc antiferromagnet Ba 2 YOsO 6 : Structural characterization, magnetic properties, and neutron scattering studies Kermarrec, E.; Marjerrison, C. A.; Thompson, C. M. Physical Review B, Vol. 91, Issue 7 https://doi.org/10.1103/PhysRevB.91.075133	journal	February 2015
Spin-orbit coupling controlled ground state in Sr 2 ScOsO 6 Taylor, A. E.; Morrow, R.; Fishman, R. S. Physical Review B, Vol. 93, Issue 22 https://doi.org/10.1103/PhysRevB.93.220408	journal	June 2016
Spin-Orbit Coupling Controlled J = 3 / 2 Electronic Ground State in 5 d 3 Oxides Taylor, A. E.; Calder, S.; Morrow, R. Physical Review Letters, Vol. 118, Issue 20 https://doi.org/10.1103/PhysRevLett.118.207202	journal	May 2017
Electronic structure and magnetic properties of NaOsO 3 Du, Yongping; Wan, Xiangang; Sheng, Li Physical Review B, Vol. 85, Issue 17 https://doi.org/10.1103/PhysRevB.85.174424	journal	May 2012
Structural and correlation effects in the itinerant insulating antiferromagnetic perovskite NaOsO 3 Jung, Myung-Chul; Song, Young-Joon; Lee, Kwan-Woo Physical Review B, Vol. 87, Issue 11 https://doi.org/10.1103/PhysRevB.87.115119	journal	March 2013
Theoretical studies of the osmium based perovskites AOsO3 (A=Ca, Sr and Ba) Ali, Zahid; Sattar, Abdul; Asadabadi, S. Jalali Journal of Physics and Chemistry of Solids, Vol. 86 https://doi.org/10.1016/j.jpcs.2015.07.001	journal	November 2015
Magnetism in Ca ₂ CoOsO ₆ and Ca ₂ NiOsO ₆ : Unraveling the Mystery of Superexchange Interactions between 3d and 5d Ions Morrow, Ryan; Samanta, Kartik; Saha Dasgupta, Tanusri Chemistry of Materials, Vol. 28, Issue 11 https://doi.org/10.1021/acs.chemmater.6b00254	journal	May 2016
Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in NaOsO 3 Kim, Bongjae; Liu, Peitao; Ergönenc, Zeynep Physical Review B, Vol. 94, Issue 24 https://doi.org/10.1103/PhysRevB.94.241113	journal	December 2016
Infrared evidence of a Slater metal-insulator transition in NaOsO3 Vecchio, I. Lo; Perucchi, A.; Di Pietro, P. Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep02990	journal	October 2013
Fusion of the LAPW and LMTO methods: The augmented plane wave plus muffin-tin orbital method Kotani, Takao; van Schilfgaarde, Mark Physical Review B, Vol. 81, Issue 12 https://doi.org/10.1103/PhysRevB.81.125117	journal	March 2010
A local exchange-correlation potential for the spin polarized case. i Barth, U. von; Hedin, L. Journal of Physics C: Solid State Physics, Vol. 5, Issue 13 https://doi.org/10.1088/0022-3719/5/13/012	journal	July 1972
Magnetic excitations in a three-orbital model for the strongly spin-orbit coupled iridates: Effect of mixing between the J = 1 2 and 3 2 sectors Mohapatra, Shubhajyoti; van den Brink, Jeroen; Singh, Avinash Physical Review B, Vol. 95, Issue 9 https://doi.org/10.1103/PhysRevB.95.094435	journal	March 2017
Magnetic phase diagram of Ca 2 − x Sr x RuO 4 governed by structural distortions Fang, Z.; Terakura, K. Physical Review B, Vol. 64, Issue 2 https://doi.org/10.1103/PhysRevB.64.020509	journal	June 2001

Similar Records

Effect of structural distortion on the electronic band structure of

{NaOsO}_{3}

studied within density functional theory and a three-orbital model

Journal Article · 2018 · Physical Review B · OSTI ID:1434834

Mohapatra, Shubhajyoti; Bhandari, Churna; Satpathy, Sashi; +1 more

Electronic structure of the heavy-fermion caged compound

{Ce}_{3} {Pd}_{20} X_{6} (X = Si, Ge)

studied by density functional theory and photoelectron spectroscopy

Journal Article · 2015 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1193212

Yamaoka, Hitoshi; Schwier, Eike F.; Arita, Masashi; +9 more

Related Subjects

Materials Science
Physics

Effect of structural distortion on the electronic band structure of NaOsO 3 studied within density functional theory and a three-orbital model

Citation Formats

References (16)

Similar Records

Related Subjects

Effect of structural distortion on the electronic band structure of ${NaOsO}_{3}$ studied within density functional theory and a three-orbital model