Metastable β-NdCo 2 B 2 : A Triclinic Polymorph with Magnetic Ordering

Powderly, Kelly M.; Guo, Shu; Mitchell Warden, Hillary E.; Nguyen, Loi T.; Cava, R. J.

doi:10.1021/acs.chemmater.1c01545

Metastable β-NdCo ₂ B ₂ : A Triclinic Polymorph with Magnetic Ordering

Journal Article · 09 August 2021 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c01545· OSTI ID:1853079

^[1]; ^[1]; ^[1]; ^[1]; Cava, R. J. ^[1]

Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States

Not provided.

Research Organization:: Johns Hopkins Univ., Baltimore, MD (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019331

OSTI ID:: 1853079

Journal Information:: Chemistry of Materials, Vol. 33, Issue 16; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

References (54)

High superconducting transition temperatures of new rare earth ternary borides Matthias, B. T.; Corenzwit, E.; Vandenberg, J. M. Proceedings of the National Academy of Sciences, Vol. 74, Issue 4 https://doi.org/10.1073/pnas.74.4.1334	journal	April 1977
Superconductivity of new ternary borides with the LuRuB2-type structure Ku, H. C.; Shelton, R. N. Materials Research Bulletin, Vol. 15, Issue 10 https://doi.org/10.1016/0025-5408(80)90099-9	journal	October 1980
Superconductivity and physical properties of strongly electron correlated compounds La _n Ru _3n−1 B _2n (n = 1, 2, and 3) Lei, Hechang; Hosono, H. EPL (Europhysics Letters), Vol. 104, Issue 1 https://doi.org/10.1209/0295-5075/104/17003	journal	October 2013
LaCo 2 B 2 : A Co-Based Layered Superconductor with a ThCr 2 Si 2 -Type Structure Mizoguchi, Hiroshi; Kuroda, Toshiaki; Kamiya, Toshio Physical Review Letters, Vol. 106, Issue 23 https://doi.org/10.1103/PhysRevLett.106.237001	journal	June 2011
Absence of low energy magnetic spin-fluctuations in isovalently and aliovalently doped LaCo ₂ B ₂ superconducting compounds Majumder, M.; Ghoshray, A.; Khuntia, P. Journal of Physics: Condensed Matter, Vol. 28, Issue 34 https://doi.org/10.1088/0953-8984/28/34/345701	journal	June 2016
Superconductivity of magnetic Sm-substituted LaCo ₂ B ₂ Wang, Y.; Ren, W. J.; Duan, T. F. Journal of Applied Physics, Vol. 117, Issue 17 https://doi.org/10.1063/1.4914541	journal	May 2015
Magnetism and structural chemistry of ternary borides RECo2B2 (RE  Y, La, Pr, Nd, Sm, Gd, Tb, Dy, Ho or Er) and boron substitution in (Y,Ce)Co2Si2 − xBx Rupp, B.; Rogl, P.; Hulliger, F. Journal of the Less Common Metals, Vol. 135, Issue 1 https://doi.org/10.1016/0022-5088(87)90344-4	journal	October 1987
Magnetic properties of some RCo2B2 and RCo4B4 compounds Jurczyk, M.; Pedziwiatr, A. T.; Sankar, S. G. Journal of Magnetism and Magnetic Materials, Vol. 68, Issue 2 https://doi.org/10.1016/0304-8853(87)90284-8	journal	August 1987
Low temperature magnetic order of the new ternary rare earth compounds (RRub4) with the YCrB4-type structure Ku, H. C.; Lin, D. C. Journal of the Less Common Metals, Vol. 127 https://doi.org/10.1016/0022-5088(87)90355-9	journal	January 1987
Strong itinerant magnetism in ternary boride CeRh ₃ B ₂ Dhar, S. K.; Malik, S. K.; Vijayaraghavan, R. Journal of Physics C: Solid State Physics, Vol. 14, Issue 11 https://doi.org/10.1088/0022-3719/14/11/008	journal	April 1981
Magnetic properties and hyperfine interactions in RCo2B2 (R = Nd, Gd, Tb) Felner, I. Solid State Communications, Vol. 52, Issue 2 https://doi.org/10.1016/0038-1098(84)90625-2	journal	October 1984
Ferromagnetic ordering in CeIr 2 B 2 : Transport, magnetization, specific heat, and NMR studies Prasad, A.; Anand, V. K.; Paramanik, U. B. Physical Review B, Vol. 86, Issue 1 https://doi.org/10.1103/PhysRevB.86.014414	journal	July 2012
Magnetic behavior of CeIr 2 B 2 Sampathkumaran, E. V.; Das, I. Physical Review B, Vol. 51, Issue 13 https://doi.org/10.1103/PhysRevB.51.8628	journal	April 1995
Magnetic properties and large reversible magnetocaloric effect in PrCo2B2 compound Li, Lingwei; Nishimura, Katsuhiko Journal of Applied Physics, Vol. 106, Issue 2 https://doi.org/10.1063/1.3173565	journal	July 2009
Magnetic properties and magnetocaloric effect in NdCo ₂ B ₂ compound Li, Lingwei; Nishimura, Katsuhiko Journal of Physics D: Applied Physics, Vol. 42, Issue 14 https://doi.org/10.1088/0022-3727/42/14/145003	journal	June 2009
Study of the magnetic properties and magnetocaloric effect in RCo2B2 (R = Tb, Dy and Ho) compounds Li, Lingwei; Nishimura, Katsuhiko; Usui, Gou Intermetallics, Vol. 23 https://doi.org/10.1016/j.intermet.2011.12.002	journal	April 2012
A comparative study of the magnetic properties and magnetic entropy change in R Co ₂ B ₂ ( R = Pr, Nd and Gd) compounds Li, Lingwei; Huo, Dexuan; Qian, Zhenghong Journal of Physics: Conference Series, Vol. 263 https://doi.org/10.1088/1742-6596/263/1/012017	journal	January 2011
Giant reversible magnetocaloric effect in antiferromagnetic GdCo2B2 compound Li, Lingwei; Nishimura, Katsuhiko; Yamane, Hiromitsu Applied Physics Letters, Vol. 94, Issue 10 https://doi.org/10.1063/1.3095660	journal	March 2009
Pressure Effects on Magnetic and Magnetocaloric Properties of GdCo ₂ B ₂ Li, Lingwei; Hu, Guanghui; Umehara, Izuru Journal of the Physical Society of Japan, Vol. 81, Issue 7 https://doi.org/10.1143/JPSJ.81.073701	journal	July 2012
Magnetism in GdCo ₂ B ₂ Studied on a Single Crystal Pospíšil, Jiří; Kitazawa, Hideaki; Gupta, Ajeya Journal of the Physical Society of Japan, Vol. 83, Issue 5 https://doi.org/10.7566/JPSJ.83.054713	journal	May 2014
Pressure effect on magnetic phase transition and spin-glass-like behavior of GdCo ₂ B ₂ Hu, Guang-Hui; Li, Ling-Wei; Izuru, Umehara Chinese Physics B, Vol. 25, Issue 6 https://doi.org/10.1088/1674-1056/25/6/067501	journal	June 2016
Thermal conductivity of PrRh4.8B2, a layered boride compound Kakefuda, Yohei; Yubuta, Kunio; Shishido, Toetsu APL Materials, Vol. 5, Issue 12 https://doi.org/10.1063/1.5005869	journal	December 2017
Applying an electron counting rule to screen prospective thermoelectric alloys: The thermoelectric properties of YCrB4 and Er3CrB7-type phases Simonson, J. W.; Poon, S. J. Journal of Alloys and Compounds, Vol. 504, Issue 1 https://doi.org/10.1016/j.jallcom.2010.05.110	journal	August 2010
Thermoelectric and magnetic properties of rare earth borides: Boron cluster and layered compounds Mori, Takao Journal of Solid State Chemistry, Vol. 275 https://doi.org/10.1016/j.jssc.2019.03.046	journal	July 2019
Making and Breaking Bonds in the Solid State: The ThCr ₂ Si ₂ Structure Hoffmann, Roald; Zheng, Chong The Journal of Physical Chemistry, Vol. 89, Issue 20 https://doi.org/10.1021/j100266a007	journal	September 1985
ThCr2Si2 structure type: The “perovskite” of intermetallics Shatruk, Michael Journal of Solid State Chemistry, Vol. 272 https://doi.org/10.1016/j.jssc.2019.02.012	journal	April 2019
Donor-acceptor layer formation and lattice site preference in the solid: the CaBe2Ge2 structure Zheng, Chong.; Hoffmann, Roald. Journal of the American Chemical Society, Vol. 108, Issue 11 https://doi.org/10.1021/ja00271a044	journal	May 1986
The most populous of all crystal structure types—the tetragonal BaAl4 structure Pearson, W. B. Journal of Solid State Chemistry, Vol. 56, Issue 3 https://doi.org/10.1016/0022-4596(85)90177-X	journal	March 1985
The Crystal Data of Ternary Rare Earth Borides, RCo ₂ B ₂ Niihara, Koichi; Shishido, Toetu; Yajima, Seishi Bulletin of the Chemical Society of Japan, Vol. 46, Issue 4 https://doi.org/10.1246/bcsj.46.1137	journal	April 1973
�berSE-Metall?Kobaltboride Rogl, P. Monatshefte f�r Chemie, Vol. 104, Issue 6 https://doi.org/10.1007/BF00909648	journal	January 1973
The interaction of transition and rare earth metals with boron Kuz'ma, Yu. B.; Bilonizhko, N. S.; Mykhalenko, S. I. Journal of the Less Common Metals, Vol. 67, Issue 1 https://doi.org/10.1016/0022-5088(79)90073-0	journal	September 1979
Ternary systems {Dy, Er}-Fe-B Chernyak, G. V.; Chaban, N. F.; Kuz'ma, Yu. B. Soviet Powder Metallurgy and Metal Ceramics, Vol. 22, Issue 6 https://doi.org/10.1007/BF00793226	journal	June 1983
The crystal structure of CeRu2B2 and isotypic compounds M(Ru, Os)2B2, M = La, Pr, Nd, Sm, Gd, and Th Horvath, C.; Rogl, P.; Hiebl, K. Journal of Solid State Chemistry, Vol. 67, Issue 1 https://doi.org/10.1016/0022-4596(87)90340-9	journal	March 1987
Darstellung und Kristallstruktur von CaRh ₂ B ₂ und CaIr ₂ B ₂ / Preparation and Crystal Structure of CaRh ₂ B ₂ und CaIr ₂ B ₂ Schmidt, Bernd; Jung, Walter Zeitschrift für Naturforschung B, Vol. 33, Issue 12 https://doi.org/10.1515/znb-1978-1211	journal	December 1978
The Gallides SrRh ₂ Ga ₂ , SrIr ₂ Ga ₂ , and Sr ₃ Ir ₄ Ga ₄: The Gallides SrRh ₂ Ga ₂ , SrIr ₂ Ga ₂ and Sr ₃ Ir ₄ Ga ₄ Seidel, Stefan; Schubert, Lea; Hoffmann, Rolf-Dieter Zeitschrift für anorganische und allgemeine Chemie, Vol. 641, Issue 10 https://doi.org/10.1002/zaac.201500221	journal	June 2015
Crystal structure refinement with SHELXL Sheldrick, George M. Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8 https://doi.org/10.1107/S2053229614024218	journal	January 2015
OLEX2 : a complete structure solution, refinement and analysis program Dolomanov, Oleg V.; Bourhis, Luc J.; Gildea, Richard J. Journal of Applied Crystallography, Vol. 42, Issue 2 https://doi.org/10.1107/S0021889808042726	journal	January 2009
Single-crystal structure validation with the program PLATON Spek, A. L. Journal of Applied Crystallography, Vol. 36, Issue 1, p. 7-13 https://doi.org/10.1107/S0021889802022112	journal	January 2003
TOPAS and TOPAS-Academic : an optimization program integrating computer algebra and crystallographic objects written in C++ Coelho, Alan A. Journal of Applied Crystallography, Vol. 51, Issue 1 https://doi.org/10.1107/S1600576718000183	journal	February 2018
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 44, Issue 6 https://doi.org/10.1107/S0021889811038970	journal	October 2011
Mercury : visualization and analysis of crystal structures Macrae, Clare F.; Edgington, Paul R.; McCabe, Patrick Journal of Applied Crystallography, Vol. 39, Issue 3 https://doi.org/10.1107/S002188980600731X	journal	May 2006
Crystal structure and physical properties of Mg6Cu16Si7-type M6Ni16Si7, for M=Mg, Sc, Ti, Nb, and Ta Holman, K. L.; Morosan, E.; Casey, P. A. Materials Research Bulletin, Vol. 43, Issue 1 https://doi.org/10.1016/j.materresbull.2007.09.023	journal	January 2008
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
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
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 78, Issue 7 https://doi.org/10.1103/PhysRevLett.78.1396	journal	February 1997
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J. Physical Review B, Vol. 52, Issue 8 https://doi.org/10.1103/PhysRevB.52.R5467	journal	August 1995
Ab initio calculations of the Hubbard U for the early lanthanides using the constrained random-phase approximation Nilsson, F.; Sakuma, R.; Aryasetiawan, F. Physical Review B, Vol. 88, Issue 12 https://doi.org/10.1103/PhysRevB.88.125123	journal	September 2013
Die isotypen Verbindungen BaRh2Si2, BaIr2Si2 und BaPt2Ga2 - eine monokline Verzerrungsvariante der CaRh2B2-Struktur Langen, Dirk; Schoolaert, Stephan; Ploss, Heike Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 623, Issue 10 https://doi.org/10.1002/zaac.19976231015	journal	October 1997
Monoclinic 122-Type BaIr2Ge2 with a Channel Framework: A Structural Connection between Clathrate and Layered Compounds Gui, Xin; Chang, Tay-Rong; Kong, Tai Materials, Vol. 10, Issue 7 https://doi.org/10.3390/ma10070818	journal	July 2017

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