Niobium substitution suppresses the superconducting critical temperature of pressurized MoB2

Lim, J.; Sinha, S.; Hire, A. C.; Kim, J. S.; Dee, P. M.; Kumar, R. S.; Popov, D.; Hemley, R. J.; Hennig, R. G.; Hirschfeld, P. J.; Stewart, G. R.; Hamlin, J. J.

doi:10.1103/physrevb.108.094501

Niobium substitution suppresses the superconducting critical temperature of pressurized MoB2

Journal Article · Fri Sep 01 00:00:00 EDT 2023 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.108.094501· OSTI ID:2007155

^[1]; ^[1]; ^[1]; Kim, J. S. ^[1]; ^[1]; Kumar, R. S. ^[2]; ^[3]; Hemley, R. J. ^[2]; Hennig, R. G. ^[1]; Hirschfeld, P. J. ^[1]; Stewart, G. R. ^[1]; Hamlin, J. J. ^[1]

Univ. of Florida, Gainesville, FL (United States)
Univ. of Illinois, Chicago, IL (United States)
Argonne National Laboratory (ANL), Argonne, IL (United States)

A recent study has demonstrated that MoB₂, transforming to the same structure as MgB₂ (P₆/mmm), superconducts at temperatures above 30 K near 100 GPa [C. Pei et al., Natl. Sci. Rev. 10, nwad034 (2023)], and Nb substitution in MoB₂ stabilizes the P6/mmm structure down to ambient pressure [A. C. Hire et al., Phys. Rev. B 106, 174515 (2022)]. Here, the current work explores the high-pressure superconducting behavior of Nb-substituted MoB₂ (Nb_0.25Mo_0.75B₂). High-pressure x-ray diffraction measurements show that the sample remains in the ambient pressure P6/mmm structure to at least 160 GPa. Electrical resistivity measurements demonstrate that from an ambient pressure T_c of 8K (confirmed by specific heat to be a bulk effect), the critical temperature is suppressed to 4 K at 50 GPa, before gradually rising to 5.5 K at 170 GPa. The critical temperature at high pressure is thus significantly lower than that found in MoB₂ under pressure (30 K), revealing that Nb substitution results in a strong suppression of the superconducting critical temperature. Our calculations indeed find a reduced electron-phonon coupling in Nb_0.25Mo_0.75B₂, but do not account fully for the observed suppression, which may also arise from inhomogeneity and enhanced spin fluctuations.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-06CH11357; FG02-94ER14466; NA0003975; SC0020385

OSTI ID:: 2007155

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 9 Vol. 108; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (69)

Spin fluctuation effects in nearly antiferromagnetic vanadium and chromium diborides Castaing, J.; Costa, P.; Heritier, M. Journal of Physics and Chemistry of Solids, Vol. 33, Issue 2 https://doi.org/10.1016/0022-3697(72)90035-2	journal	January 1972
A search for superconductivity below 1 k in transition metal borides Leyarovska, L.; Leyarovski, E. Journal of the Less Common Metals, Vol. 67, Issue 1 https://doi.org/10.1016/0022-5088(79)90100-0	journal	September 1979
Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction Le Bail, A.; Duroy, H.; Fourquet, J. L. Materials Research Bulletin, Vol. 23, Issue 3 https://doi.org/10.1016/0025-5408(88)90019-0	journal	March 1988
Electron–phonon interaction in NbB2: a comparison with MgB2 Singh, Prabhakar P. Solid State Communications, Vol. 125, Issue 6 https://doi.org/10.1016/S0038-1098(02)00819-0	journal	February 2003
Evidence for strong-coupling s-wave superconductivity in MgB2: 11B-NMR study of MgB2 and the related materials Kotegawa, H.; Ishida, K.; Kitaoka, Y. Physica C: Superconductivity, Vol. 378-381 https://doi.org/10.1016/S0921-4534(02)01376-X	journal	October 2002
Structure and superconductivity in Zr-stabilized, nonstoichiometric molybdenum diboride Muzzy, L. E.; Avdeev, M.; Lawes, G. Physica C: Superconductivity, Vol. 382, Issue 2-3 https://doi.org/10.1016/S0921-4534(02)01861-0	journal	November 2002
High-pressure synthesis of superconducting Nb1−xB2 (x=0–0.48) with the maximum Tc=9.2 K Yamamoto, Ayako; Takao, Chigaku; Masui, Takahiko Physica C: Superconductivity, Vol. 383, Issue 3 https://doi.org/10.1016/S0921-4534(02)01996-2	journal	December 2002
Electronic structure, electron–phonon coupling, and multiband effects in MgB2 Mazin, I. I.; Antropov, V. P. Physica C: Superconductivity, Vol. 385, Issue 1-2 https://doi.org/10.1016/S0921-4534(02)02299-2	journal	March 2003
Dependence of the superconducting transition temperature of single and polycrystalline MgB2 on hydrostatic pressure Deemyad, S.; Tomita, T.; Hamlin, J. J. Physica C: Superconductivity, Vol. 385, Issue 1-2 https://doi.org/10.1016/S0921-4534(02)02300-6	journal	March 2003
The NbB2-phase revisited: Homogeneity range, defect structure, superconductivity Nunes, Carlos Angelo; Kaczorowski, Dariusz; Rogl, Peter Acta Materialia, Vol. 53, Issue 13 https://doi.org/10.1016/j.actamat.2005.04.020	journal	August 2005
Stabilization and superconductivity of AlB2-type nonstoichiometric molybdenum diboride by Sc doping Yang, Wuzhang; Xiao, Guorui; Zhu, Qinqing Ceramics International, Vol. 48, Issue 14 https://doi.org/10.1016/j.ceramint.2022.03.272	journal	July 2022
Optimization algorithm for the generation of ONCV pseudopotentials Schlipf, Martin; Gygi, François Computer Physics Communications, Vol. 196 https://doi.org/10.1016/j.cpc.2015.05.011	journal	November 2015
Metastable superconductivity in niobium diborides Takeya, Hiroyuki; Togano, Kazumasa; Sung, Yeon S. Physica C: Superconductivity, Vol. 408-410 https://doi.org/10.1016/j.physc.2004.02.046	journal	August 2004
Superconductivity and crystal growth of NbB2 Takahashi, Tsutomu; Kawamata, Shuichi; Noguchi, Satoru Physica C: Superconductivity, Vol. 426-431 https://doi.org/10.1016/j.physc.2005.03.033	journal	October 2005
Superconductivity of magnesium diboride Bud’ko, Sergey L.; Canfield, Paul C. Physica C: Superconductivity and its Applications, Vol. 514 https://doi.org/10.1016/j.physc.2015.02.024	journal	July 2015
Superconductivity of non-stoichiometric intermetallic compound NbB2 Mudgel, Monika; Awana, V. P. S.; Bhalla, G. L. Solid State Communications, Vol. 147, Issue 11-12 https://doi.org/10.1016/j.ssc.2008.07.006	journal	September 2008
Compressibility of solids Vinet, P.; Ferrante, J.; Rose, J. H. Journal of Geophysical Research, Vol. 92, Issue B9 https://doi.org/10.1029/JB092iB09p09319	journal	January 1987
Superconductivity at 39 K in magnesium diboride Nagamatsu, Jun; Nakagawa, Norimasa; Muranaka, Takahiro Nature, Vol. 410, Issue 6824 https://doi.org/10.1038/35065039	journal	March 2001
Direct observation of a pressure-induced metal-to-semiconductor transition in lithium Matsuoka, Takahiro; Shimizu, Katsuya Nature, Vol. 458, Issue 7235 https://doi.org/10.1038/nature07827	journal	March 2009
Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system Drozdov, A. P.; Eremets, M. I.; Troyan, I. A. Nature, Vol. 525, Issue 7567 https://doi.org/10.1038/nature14964	journal	August 2015
Creating superconductivity in WB2 through pressure-induced metastable planar defects Lim, J.; Hire, A. C.; Quan, Y. Nature Communications, Vol. 13, Issue 1 https://doi.org/10.1038/s41467-022-35191-8	journal	December 2022
Nonmagnetic piston–cylinder pressure cell for use at 35 kbar and above Walker, I. R. Review of Scientific Instruments, Vol. 70, Issue 8 https://doi.org/10.1063/1.1149927	journal	August 1999
The ruby pressure standard to 150GPa Chijioke, Akobuije D.; Nellis, W. J.; Soldatov, A. Journal of Applied Physics, Vol. 98, Issue 11 https://doi.org/10.1063/1.2135877	journal	December 2005
Pressure calibration of diamond anvil Raman gauge to 310GPa Akahama, Yuichi; Kawamura, Haruki Journal of Applied Physics, Vol. 100, Issue 4 https://doi.org/10.1063/1.2335683	journal	August 2006
Equation of state of rhenium and application for ultra high pressure calibration Anzellini, Simone; Dewaele, Agnès; Occelli, Florent Journal of Applied Physics, Vol. 115, Issue 4 https://doi.org/10.1063/1.4863300	journal	January 2014
Q uantum ESPRESSO toward the exascale Giannozzi, Paolo; Baseggio, Oscar; Bonfà, Pietro The Journal of Chemical Physics, Vol. 152, Issue 15 https://doi.org/10.1063/5.0005082	journal	April 2020
Toward an internally consistent pressure scale Fei, Y.; Ricolleau, A.; Frank, M. Proceedings of the National Academy of Sciences, Vol. 104, Issue 22 https://doi.org/10.1073/pnas.0609013104	journal	May 2007
Superconductivity: The Transition Temperature Peak Below Four Electrons per Atom Cooper, A. S.; Corenzwit, E.; Longinotti, L. D. Proceedings of the National Academy of Sciences, Vol. 67, Issue 1 https://doi.org/10.1073/pnas.67.1.313	journal	September 1970
Hardness and elastic moduli of high pressure synthesized MoB 2 and WB 2 compacts Yin, Shuai; He, Duanwei; Xu, Chao High Pressure Research, Vol. 33, Issue 2 https://doi.org/10.1080/08957959.2013.791289	journal	June 2013
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	journal	May 2015
Review of the superconducting properties of MgB ₂ Buzea, Cristina; Yamashita, Tsutomu Superconductor Science and Technology, Vol. 14, Issue 11 https://doi.org/10.1088/0953-2048/14/11/201	journal	November 2001
X-ray photoelectron spectroscopy studies of non-stoichiometric superconducting NbB_2+x Escamilla, R.; Huerta, L. Superconductor Science and Technology, Vol. 19, Issue 6 https://doi.org/10.1088/0953-2048/19/6/035	journal	April 2006
Synthesis and characterization of a new superconductor Nb_1−xMg_xB₂ Geng, H. X.; Che, G. C.; Huang, W. W. Superconductor Science and Technology, Vol. 20, Issue 5 https://doi.org/10.1088/0953-2048/20/5/008	journal	April 2007
Study of the superconducting properties of the new intermetallic compound ${{Zr}}_{1-x}{{Nb}}_{x}{B}_{2}$ Marques, M. D. R.; Portela, F. S.; Corredor, L. T. Superconductor Science and Technology, Vol. 29, Issue 9 https://doi.org/10.1088/0953-2048/29/9/095007	journal	July 2016
Crystalline structure and the superconducting properties of NbB 2+ x Escamilla, R.; Lovera, O.; Akachi, T. Journal of Physics: Condensed Matter, Vol. 16, Issue 32 https://doi.org/10.1088/0953-8984/16/32/029	journal	August 2004
Elastic properties of superconducting NbB_2+xobtained from first-principles calculations Regalado, E.; Escamilla, R. Journal of Physics: Condensed Matter, Vol. 19, Issue 37 https://doi.org/10.1088/0953-8984/19/37/376209	journal	August 2007
Electron–phonon coupling and spin fluctuations in 3d and 4d transition metals: implications for superconductivity and its pressure dependence Bose, S. K. Journal of Physics: Condensed Matter, Vol. 21, Issue 2 https://doi.org/10.1088/0953-8984/21/2/025602	journal	December 2008
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Pressure tuning the Fermi level through the Dirac point of giant Rashba semiconductor BiTeI VanGennep, D.; Maiti, S.; Graf, D. Journal of Physics: Condensed Matter, Vol. 26, Issue 34 https://doi.org/10.1088/0953-8984/26/34/342202	journal	August 2014
Advanced capabilities for materials modelling with Quantum ESPRESSO Giannozzi, P.; Andreussi, O.; Brumme, T. Journal of Physics: Condensed Matter, Vol. 29, Issue 46 https://doi.org/10.1088/1361-648X/aa8f79	journal	October 2017
Pressure-induced superconductivity at 32 K in MoB2 Pei, Cuiying; Zhang, Jianfeng; Wang, Qi National Science Review, Vol. 10, Issue 5 https://doi.org/10.1093/nsr/nwad034	journal	February 2023
New Superconducting Borides and Nitrides Hulm, J. K.; Matthias, B. T. Physical Review, Vol. 82, Issue 2 https://doi.org/10.1103/PhysRev.82.273	journal	April 1951
Studies of Compounds for Superconductivity Ziegler, W. T.; Young, R. A. Physical Review, Vol. 90, Issue 1 https://doi.org/10.1103/PhysRev.90.115	journal	April 1953
Effect of spin fluctuations on superconductivity in V and Nb: A first-principles study Tsutsumi, Kentaro; Hizume, Yuma; Kawamura, Mitsuaki Physical Review B, Vol. 102, Issue 21 https://doi.org/10.1103/PhysRevB.102.214515	journal	December 2020
MoB2 under pressure: Superconducting Mo enhanced by boron Quan, Yundi; Lee, Kwan-Woo; Pickett, Warren E. Physical Review B, Vol. 104, Issue 22 https://doi.org/10.1103/PhysRevB.104.224504	journal	December 2021
Clean-limit superconductivity in Im3¯m H3S synthesized from sulfur and hydrogen donor ammonia borane Osmond, Israel; Moulding, Owen; Cross, Sam Physical Review B, Vol. 105, Issue 22 https://doi.org/10.1103/PhysRevB.105.L220502	journal	June 2022
High critical field superconductivity at ambient pressure in MoB2 stabilized in the P6/mmm structure via Nb substitution Hire, A. C.; Sinha, S.; Lim, J. Physical Review B, Vol. 106, Issue 17 https://doi.org/10.1103/PhysRevB.106.174515	journal	November 2022
Hybrid s -wave superconductivity in CrB2 Biswas, Sananda; Kreisel, Andreas; Valadkhani, Adrian Physical Review B, Vol. 108, Issue 2 https://doi.org/10.1103/PhysRevB.108.L020501	journal	July 2023
Pressure dependence of the superconducting transition temperature in single-crystalNbBx(xnear 2) withTc=9.4 K Schirber, J. E.; Overmyer, D. L.; Morosin, B. Physical Review B, Vol. 45, Issue 18 https://doi.org/10.1103/PhysRevB.45.10787	journal	May 1992
Electronic structure, bonding, and ground-state properties of AlB_{2}-type transition-metal diborides Vajeeston, P.; Ravindran, P.; Ravi, C. Physical Review B, Vol. 63, Issue 4 https://doi.org/10.1103/PhysRevB.63.045115	journal	January 2001
Dependence of T c on hydrostatic pressure in superconducting MgB 2 Tomita, T.; Hamlin, J. J.; Schilling, J. S. Physical Review B, Vol. 64, Issue 9 https://doi.org/10.1103/PhysRevB.64.092505	journal	August 2001
Superconductivity in compressed iron: Role of spin fluctuations Mazin, I. I.; Papaconstantopoulos, D. A.; Mehl, M. J. Physical Review B, Vol. 65, Issue 10 https://doi.org/10.1103/PhysRevB.65.100511	journal	February 2002
Electron-phonon interaction in transition-metal diboridesTB2(T=Zr,Nb,Ta)studied by point-contact spectroscopy Naidyuk, Yu. G.; Kvitnitskaya, O. E.; Yanson, I. K. Physical Review B, Vol. 66, Issue 14 https://doi.org/10.1103/PhysRevB.66.140301	journal	October 2002
Acoustic-mode-driven electron-phonon coupling in transition-metal diborides Singh, Prabhakar P. Physical Review B, Vol. 67, Issue 13 https://doi.org/10.1103/PhysRevB.67.132511	journal	April 2003
Lattice dynamics and electron-phonon coupling in transition-metal diborides Heid, R.; Renker, B.; Schober, H. Physical Review B, Vol. 67, Issue 18 https://doi.org/10.1103/PhysRevB.67.180510	journal	May 2003
Influence of lattice vacancies on the structural, electronic, and cohesive properties of niobium and molybdenum borides from first-principles calculations Shein, I. R.; Ivanovskii, A. L. Physical Review B, Vol. 73, Issue 14 https://doi.org/10.1103/PhysRevB.73.144108	journal	April 2006
High pressure–high temperature equations of state of neon and diamond Dewaele, Agnès; Datchi, Frédéric; Loubeyre, Paul Physical Review B, Vol. 77, Issue 9, Article No. 094106 https://doi.org/10.1103/PhysRevB.77.094106	journal	March 2008
Evidence of multiband behavior in the superconducting alloy Zr0.96V0.04B2 Renosto, S. T.; Consoline, H.; dos Santos, C. A. M. Physical Review B, Vol. 87, Issue 17 https://doi.org/10.1103/PhysRevB.87.174502	journal	May 2013
Optimized norm-conserving Vanderbilt pseudopotentials Hamann, D. R. Physical Review B, Vol. 88, Issue 8 https://doi.org/10.1103/PhysRevB.88.085117	journal	August 2013
Low-temperature properties of single-crystal CrB 2 Bauer, A.; Regnat, A.; Blum, C. G. F. Physical Review B, Vol. 90, Issue 6 https://doi.org/10.1103/PhysRevB.90.064414	journal	August 2014
Evidence for Superconductivity above 260 K in Lanthanum Superhydride at Megabar Pressures Somayazulu, Maddury; Ahart, Muhtar; Mishra, Ajay K. Physical Review Letters, Vol. 122, Issue 2 https://doi.org/10.1103/PhysRevLett.122.027001	journal	January 2019
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Superconducting Tc and Electron-Phonon Coupling in Nb to 132 GPa: Magnetic Susceptibility at Megabar Pressures Struzhkin, Viktor; Timofeev, Yuri; Hemley, Russell Physical Review Letters, Vol. 79, Issue 21 https://doi.org/10.1103/PhysRevLett.79.4262	journal	November 1997
Superconductivity of MgB 2 : Covalent Bonds Driven Metallic An, J. M.; Pickett, W. E. Physical Review Letters, Vol. 86, Issue 19 https://doi.org/10.1103/PhysRevLett.86.4366	journal	May 2001
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
A profile refinement method for nuclear and magnetic structures Rietveld, H. M. Journal of Applied Crystallography, Vol. 2, Issue 2, p. 65-71 https://doi.org/10.1107/S0021889869006558	journal	June 1969
Electron transport in diborides: Observation of superconductivity in ZrB2 Gasparov, V. A.; Sidorov, N. S.; Zver’kova, I. I. Journal of Experimental and Theoretical Physics Letters, Vol. 73, Issue 10 https://doi.org/10.1134/1.1387521	journal	May 2001
Effect of metal vacancies on the band structure of Nb, Zr, and Y diborides Shein, I. R.; Medvedeva, N. I.; Ivanovskii, A. L. Physics of the Solid State, Vol. 45, Issue 9 https://doi.org/10.1134/1.1611221	journal	September 2003
Cohesion in AlB₂-Type Diborides: A First-Principles Study Oguchi, Tamio Journal of the Physical Society of Japan, Vol. 71, Issue 6 https://doi.org/10.1143/JPSJ.71.1495	journal	June 2002

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Niobium substitution suppresses the superconducting critical temperature of pressurized MoB2

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