Fermi surfaces and phase stability of Ba( Fe1-xMx)2 As2 ( M=Co,Ni,Cu,Zn )

Khan, S. N.; Alam, Aftab; Johnson, Duane D.

doi:10.1103/PhysRevB.89.205121

Title: Fermi surfaces and phase stability of Ba( ${Fe}_{1 - x} M_{x})_{2}$ ${As}_{2}$ ( $M = Co, Ni, Cu, Zn$ )

Journal Article · Thu May 22 00:00:00 EDT 2014 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.89.205121· OSTI ID:1384056

Khan, S. N.; Alam, Aftab; Johnson, Duane D.

Cite

Export

Save

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Defect Physics in Structural Materials (CDP)

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

DOE Contract Number:: AC05-00OR22725

OSTI ID:: 1384056

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 89, Issue 20; Related Information: CDP partners with Oak Ridge National Laboratory (lead); Ames Laboratory; University of California, Berkeley; Carnegie Mellon University; University of Georgia; University of Illinois, Urbana-Champaign; Ohio State University; University of Tennessee; ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (56)

Orbital fluctuation mechanism for superconductivity in iron-based compounds Stanescu, Tudor D.; Galitski, Victor; Das Sarma, S. Physical Review B, Vol. 78, Issue 19 https://doi.org/10.1103/PhysRevB.78.195114	journal	November 2008
Effects of Transition Metal Substitutions on the Incommensurability and Spin Fluctuations in ${BaFe}_{2} {As}_{2}$ by Elastic and Inelastic Neutron Scattering Kim, M. G.; Lamsal, J.; Heitmann, T. W. Physical Review Letters, Vol. 109, Issue 16 https://doi.org/10.1103/PhysRevLett.109.167003	journal	October 2012
Determination of the phase diagram of the electron-doped superconductor $Ba {({Fe}_{1 - x} {Co}_{x})}_{2} {As}_{2}$ Chu, Jiun-Haw; Analytis, James G.; Kucharczyk, Chris Physical Review B, Vol. 79, Issue 1 https://doi.org/10.1103/PhysRevB.79.014506	journal	January 2009
Neutron-Diffraction Measurements of Magnetic Order and a Structural Transition in the Parent ${BaFe}_{2} {As}_{2}$ Compound of FeAs-Based High-Temperature Superconductors Huang, Q.; Qiu, Y.; Bao, Wei Physical Review Letters, Vol. 101, Issue 25 https://doi.org/10.1103/PhysRevLett.101.257003	journal	December 2008
Spin-density-wave anomaly at 140 K in the ternary iron arsenide ${BaFe}_{2} {As}_{2}$ Rotter, Marianne; Tegel, Marcus; Johrendt, Dirk Physical Review B, Vol. 78, Issue 2 https://doi.org/10.1103/PhysRevB.78.020503	journal	July 2008
Superconductivity and magnetism of bcc Cr-Ru alloys Nishihara, Y.; Yamaguchi, Y.; Tokumoto, M. Physical Review B, Vol. 34, Issue 5 https://doi.org/10.1103/PhysRevB.34.3446	journal	September 1986
Spin-density-wave antiferromagnetism in chromium alloys Fawcett, E.; Alberts, H. L.; Galkin, V. Yu. Reviews of Modern Physics, Vol. 66, Issue 1 https://doi.org/10.1103/RevModPhys.66.25	journal	January 1994
An overview on iron based superconductors Aswathy, P. M.; Anooja, J. B.; Sarun, P. M. Superconductor Science and Technology, Vol. 23, Issue 7 https://doi.org/10.1088/0953-2048/23/7/073001	journal	June 2010
Effects of Co substitution on thermodynamic and transport properties and anisotropic $H_{c 2}$ in $Ba {({Fe}_{1 - x} {Co}_{x})}_{2} {As}_{2}$ single crystals Ni, N.; Tillman, M. E.; Yan, J. -Q. Physical Review B, Vol. 78, Issue 21 https://doi.org/10.1103/PhysRevB.78.214515	journal	December 2008
Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium Kohn, W.; Rostoker, N. Physical Review, Vol. 94, Issue 5 https://doi.org/10.1103/PhysRev.94.1111	journal	June 1954
Spin waves and magnetic exchange interactions in CaFe2As2 Zhao, Jun; Adroja, D. T.; Yao, Dao-Xin Nature Physics, Vol. 5, Issue 8 https://doi.org/10.1038/nphys1336	journal	July 2009
Theory of compositional and magnetic correlations in alloys: Interpretation of a diffuse neutron-scattering experiment on an iron-vanadium single crystal Staunton, J.; Johnson, D.; Pinski, F. Physical Review Letters, Vol. 65, Issue 10 https://doi.org/10.1103/PhysRevLett.65.1259	journal	September 1990
Theory of photoemission from random alloys Durham, P. J. Journal of Physics F: Metal Physics, Vol. 11, Issue 11 https://doi.org/10.1088/0305-4608/11/11/027	journal	November 1981
Iron-based superconductors: Magnetism, superconductivity, and electronic structure (Review Article) Kordyuk, A. A. Low Temperature Physics, Vol. 38, Issue 9 https://doi.org/10.1063/1.4752092	journal	September 2012
Bulk and Surface Effects in Photoemission from Disordered $Cu$ -Ni Alloys Durham, P. J.; Jordan, R. G.; Sohal, G. S. Physical Review Letters, Vol. 53, Issue 21 https://doi.org/10.1103/PhysRevLett.53.2038	journal	November 1984
High-throughput electronic band structure calculations: Challenges and tools Setyawan, Wahyu; Curtarolo, Stefano Computational Materials Science, Vol. 49, Issue 2 https://doi.org/10.1016/j.commatsci.2010.05.010	journal	August 2010
High-temperature superconductivity in iron-based materials Paglione, Johnpierre; Greene, Richard L. Nature Physics, Vol. 6, Issue 9 https://doi.org/10.1038/nphys1759	journal	August 2010
Giant Phonon Softening and Enhancement of Superconductivity by Phosphorus Doping of ${BaNi}_{2} {As}_{2}$ Kudo, K.; Takasuga, M.; Okamoto, Y. Physical Review Letters, Vol. 109, Issue 9 https://doi.org/10.1103/PhysRevLett.109.097002	journal	August 2012
Superconductivity in iron compounds Stewart, G. R. Reviews of Modern Physics, Vol. 83, Issue 4 https://doi.org/10.1103/RevModPhys.83.1589	journal	December 2011
Origins of compositional order in NiPt alloys Pinski, F. J.; Ginatempo, B.; Johnson, D. D. Physical Review Letters, Vol. 66, Issue 6 https://doi.org/10.1103/PhysRevLett.66.766	journal	February 1991
A first-principles theory of ferromagnetic phase transitions in metals Gyorffy, B. L.; Pindor, A. J.; Staunton, J. Journal of Physics F: Metal Physics, Vol. 15, Issue 6 https://doi.org/10.1088/0305-4608/15/6/018	journal	June 1985
Calculated electrical conductivity and thermopower of silver-palladium alloys Butler, W. H.; Stocks, G. M. Physical Review B, Vol. 29, Issue 8 https://doi.org/10.1103/PhysRevB.29.4217	journal	April 1984
Itinerant electrons, local moments, and magnetic correlations in the pnictide superconductors CeFeAsO $_{1 - x}$ F $_{x}$ and Sr(Fe $_{1 - x}$ Co $_{x}$ ) $_{2}$ As $_{2}$ Vilmercati, Paolo; Fedorov, Alexei; Bondino, Federica Physical Review B, Vol. 85, Issue 22 https://doi.org/10.1103/PhysRevB.85.220503	journal	June 2012
Where Are the Extra $d$ Electrons in Transition-Metal-Substituted Iron Pnictides? Wadati, H.; Elfimov, I.; Sawatzky, G. A. Physical Review Letters, Vol. 105, Issue 15 https://doi.org/10.1103/PhysRevLett.105.157004	journal	October 2010
On the calculation of the energy of a Bloch wave in a metal Korringa, J. Physica, Vol. 13, Issue 6-7 https://doi.org/10.1016/0031-8914(47)90013-X	journal	August 1947
Concentration Waves and Fermi Surfaces in Random Metallic Alloys Gyorffy, B. L.; Stocks, G. M. Physical Review Letters, Vol. 50, Issue 5 https://doi.org/10.1103/PhysRevLett.50.374	journal	January 1983
Theory of the Magnetic Moment in Iron Pnictides Wu, Jiansheng; Phillips, Philip; Castro Neto, A. H. Physical Review Letters, Vol. 101, Issue 12 https://doi.org/10.1103/PhysRevLett.101.126401	journal	September 2008
A key role for unusual spin dynamics in ferropnictides Mazin, I. I.; Johannes, M. D. Nature Physics, Vol. 5, Issue 2 https://doi.org/10.1038/nphys1160	journal	December 2008
Density-Functional Theory for Random Alloys: Total Energy within the Coherent-Potential Approximation Johnson, D. D.; Nicholson, D. M.; Pinski, F. J. Physical Review Letters, Vol. 56, Issue 19 https://doi.org/10.1103/PhysRevLett.56.2088	journal	May 1986
Materials and Novel Superconductivity in Iron Pnictide Superconductors Wen, Hai-Hu; Li, Shiliang Annual Review of Condensed Matter Physics, Vol. 2, Issue 1 https://doi.org/10.1146/annurev-conmatphys-062910-140518	journal	March 2011
Three-Dimensional Electronic Structure of Superconducting Iron Pnictides Observed by Angle-Resolved Photoemission Spectroscopy Malaeb, Walid; Yoshida, Teppei; Fujimori, Atsushi Journal of the Physical Society of Japan, Vol. 78, Issue 12 https://doi.org/10.1143/JPSJ.78.123706	journal	December 2009
Epitaxial growth and electronic structure of a layered zinc pnictide semiconductor, β-BaZn2As2 Xiao, Zewen; Ran, Fan-Yong; Hiramatsu, Hidenori Thin Solid Films, Vol. 559 https://doi.org/10.1016/j.tsf.2013.10.135	journal	May 2014
Incommensurate and Commensurate Antiferromagnetic Spin Fluctuations in Cr and Cr Alloys from Ab Initio Dynamical Spin Susceptibility Calculations Staunton, J. B.; Poulter, J.; Ginatempo, B. Physical Review Letters, Vol. 82, Issue 16 https://doi.org/10.1103/PhysRevLett.82.3340	journal	April 1999
van Hove Singularity Induced $L 1_{1}$ Ordering in CuPt Clark, J. F.; Pinski, F. J.; Johnson, D. D. Physical Review Letters, Vol. 74, Issue 16 https://doi.org/10.1103/PhysRevLett.74.3225	journal	April 1995
Doping dependence of spin dynamics in electron-doped $Ba {({Fe}_{1 - x} {Co}_{x})}_{2} {As}_{2}$ Matan, K.; Ibuka, S.; Morinaga, R. Physical Review B, Vol. 82, Issue 5 https://doi.org/10.1103/PhysRevB.82.054515	journal	August 2010
Do Transition-Metal Substitutions Dope Carriers in Iron-Based Superconductors? Berlijn, Tom; Lin, Chia-Hui; Garber, William Physical Review Letters, Vol. 108, Issue 20 https://doi.org/10.1103/PhysRevLett.108.207003	journal	May 2012
An elementary derivation of Lloyd s formula valid for full-potential multiple-scattering theory Zeller, Rudolf Journal of Physics: Condensed Matter, Vol. 16, Issue 36 https://doi.org/10.1088/0953-8984/16/36/011	journal	August 2004
Fermi Surface and Some Simple Equilibrium Properties of a System of Interacting Fermions Luttinger, J. M. Physical Review, Vol. 119, Issue 4 https://doi.org/10.1103/PhysRev.119.1153	journal	August 1960
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Observation of Dirac Cone Electronic Dispersion in ${BaFe}_{2} {As}_{2}$ Richard, P.; Nakayama, K.; Sato, T. Physical Review Letters, Vol. 104, Issue 13 https://doi.org/10.1103/PhysRevLett.104.137001	journal	March 2010
Electronic structure studies of ${BaFe}_{2} {As}_{2}$ by angle-resolved photoemission spectroscopy Fink, J.; Thirupathaiah, S.; Ovsyannikov, R. Physical Review B, Vol. 79, Issue 15 https://doi.org/10.1103/PhysRevB.79.155118	journal	April 2009
Electronic structure and doping in ${BaFe}_{2} {As}_{2}$ and LiFeAs: Density functional calculations Singh, D. J. Physical Review B, Vol. 78, Issue 9 https://doi.org/10.1103/PhysRevB.78.094511	journal	September 2008
Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides Yin, Z. P.; Haule, K.; Kotliar, G. Nature Materials, Vol. 10, Issue 12 https://doi.org/10.1038/nmat3120	journal	September 2011
Magnetochemical origin for Invar anomalies in iron-nickel alloys Crisan, V.; Entel, P.; Ebert, H. Physical Review B, Vol. 66, Issue 1 https://doi.org/10.1103/PhysRevB.66.014416	journal	July 2002
Commensurate and Incommensurate Ordering Tendencies in the Ternary fcc Cu-Ni-Zn System Althoff, J. D.; Johnson, D. D.; Pinski, F. J. Physical Review Letters, Vol. 74, Issue 1 https://doi.org/10.1103/PhysRevLett.74.138	journal	January 1995
Dependence of Carrier Doping on the Impurity Potential in Transition-Metal-Substituted FeAs-Based Superconductors Ideta, S.; Yoshida, T.; Nishi, I. Physical Review Letters, Vol. 110, Issue 10 https://doi.org/10.1103/PhysRevLett.110.107007	journal	March 2013
Onsager cavity fields in itinerant-electron paramagnets Staunton, J. B.; Gyorffy, B. L. Physical Review Letters, Vol. 69, Issue 2 https://doi.org/10.1103/PhysRevLett.69.371	journal	July 1992
FeAs-Based Superconductivity: A Case Study of the Effects of Transition Metal Doping on BaFe ₂ As ₂ Canfield, Paul C.; Bud'ko, Sergey L. Annual Review of Condensed Matter Physics, Vol. 1, Issue 1 https://doi.org/10.1146/annurev-conmatphys-070909-104041	journal	August 2010
Structural, magnetic, and defect properties of Co-Pt-type magnetic-storage alloys: Density-functional theory study of thermal processing effects Alam, Aftab; Kraczek, Brent; Johnson, D. D. Physical Review B, Vol. 82, Issue 2 https://doi.org/10.1103/PhysRevB.82.024435	journal	July 2010
Systematic, multisite short-range-order corrections to the electronic structure of disordered alloys from first principles: The KKR nonlocal CPA from the dynamical cluster approximation Biava, D. A.; Ghosh, Subhradip; Johnson, D. D. Physical Review B, Vol. 72, Issue 11 https://doi.org/10.1103/PhysRevB.72.113105	journal	September 2005
Electronic structure of ${BaCu}_{2} {As}_{2}$ and ${SrCu}_{2} {As}_{2}$ : $s p$ -band metals Singh, D. J. Physical Review B, Vol. 79, Issue 15 https://doi.org/10.1103/PhysRevB.79.153102	journal	April 2009
Nematic spin fluid in the tetragonal phase of BaFe $_{2}$ As $_{2}$ Harriger, L. W.; Luo, H. Q.; Liu, M. S. Physical Review B, Vol. 84, Issue 5 https://doi.org/10.1103/PhysRevB.84.054544	journal	August 2011
Renormalized behavior and proximity of ${BaCo}_{2} {As}_{2}$ to a magnetic quantum critical point Sefat, A. S.; Singh, D. J.; Jin, R. Physical Review B, Vol. 79, Issue 2 https://doi.org/10.1103/PhysRevB.79.024512	journal	January 2009
Fast method for calculating the self-consistent electronic structure of random alloys Johnson, D. D.; Pinski, F. J.; Stocks, G. M. Physical Review B, Vol. 30, Issue 10 https://doi.org/10.1103/PhysRevB.30.5508	journal	November 1984
Superconductivity at 22 K in Co-Doped ${BaFe}_{2} {As}_{2}$ Crystals Sefat, Athena S.; Jin, Rongying; McGuire, Michael A. Physical Review Letters, Vol. 101, Issue 11 https://doi.org/10.1103/PhysRevLett.101.117004	journal	September 2008
Temperature versus doping phase diagrams for $Ba {({Fe}_{1 - x} {TM}_{x})}_{2} {As}_{2} (TM = Ni, Cu, Cu / Co)$ single crystals Ni, N.; Thaler, A.; Yan, J. Q. Physical Review B, Vol. 82, Issue 2 https://doi.org/10.1103/PhysRevB.82.024519	journal	July 2010

Similar Records

Fermi surfaces and phase stability of Ba(

{Fe}_{1 - x} M_{x})_{2}

{As}_{2}

(

M = Co, Ni, Cu, Zn

)

Journal Article · Thu May 01 00:00:00 EDT 2014 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1384056

Khan, S. N.; Alam, Aftab; Johnson, Duane D.

Neutron spin resonance as a probe of Fermi surface nesting and superconducting gap symmetry in

{Ba}_{0.67} K_{0.33} {({Fe}_{1 - x} {Co}_{x})}_{2} {As}_{2}

Journal Article · Thu Aug 30 00:00:00 EDT 2018 · Physical Review B · OSTI ID:1384056

Zhang, Rui N.; Wang, Weiyi; Maier, Thomas A.; +5 more

Correlation between antiferromagnetic and Mott states in spin orbit coupled

{Sr}_{2} Ir O_{4}

: A study of

{Sr}_{2} {Ir}_{1 - x} M_{x} O_{4}

(

M = Fe

or Co)

Journal Article · Mon Mar 15 00:00:00 EDT 2021 · Physical Review B · OSTI ID:1384056

Hu, Bing; Zhao, Hengdi; Zhang, Yu; +3 more

Related Subjects

nuclear (including radiation effects)
defects
mechanical behavior
spin dynamics
materials and chemistry by design

Title: Fermi surfaces and phase stability of Ba( Fe 1 - x M x ) 2 As 2 ( M = Co , Ni , Cu , Zn )

Citation Formats

References (56)

Similar Records

Related Subjects

Title: Fermi surfaces and phase stability of Ba( ${Fe}_{1 - x} M_{x})_{2}$ ${As}_{2}$ ( $M = Co, Ni, Cu, Zn$ )