CDAC Publications 2024

1733.  Deng, L., M. Gooch, H. Liu, N. P. Salke, T. Bontke, S. Shao, J. You, D. J. Schulze, R. Kumar, J.-X. Yin, Y. Shi, R. J. Hemley, Y. Feng, G. Shang, Q. Si, and C.-W. Chu, Effect of Fermi surface topology change on the Kagomé superconductor CeRu₂ under pressure.  Materials Today Physics  40, 101322 (2024). [OSTI ID 2278833]

1734.  Deng, L., J. Zhang, Y. Sakai, Z. Tang, M. Adnani, R. Dahal, A. P. Litvinchuk, J. R. Chelikowsky, M. L. Cohen, R. J. Hemley, A. Guloy, Y. Ding,  and C.-W. Chu, Pressure-induced superconductivity in a novel germanium allotrope.  Materials Today Physics  40, 101338 (2024). [OSTI ID 2281242]

1735.  Williams, E., J. Minnette, E. O'Quinn, A. Solomon, C. Overstreet, W. Cureton, I. Schubert, C. Trautmann, C. Park, M. Zdorovets, and M. Lang, Swift Heavy Ion Irradiation Effects in Zirconium and Hafnium Carbides. Nuclear Instruments and Methods in Physics Research B 548, 165248 (2024). [OSTI ID 2311872]

1736.  Denchfield, A., H. Park, and R. J. Hemley, Electronic structure of nitrogen-doped lutetium hydrides. Physical Review Materials 8, L021801 (2024). [OSTI ID 2311890]

1737.  Duwal, S., R. C. Clay III, M. D. Knudson, J. Boerner, K. Cochrane, J. Usher, D. Dolan, B. Farfan, C. de La Cruz, J. Banasek, C. T. Seagle, R. Hacking, S. Payne, C. Zoller, M. Ahart, and R. J. Hemley, Extreme compression of planetary gases: High-accuracy pressure-density measurements of hydrogen-helium mixtures above fourfold compression. Physical Review B, 109, 104102 (2024). [OSTI ID 2322579]

1738.  Musfeldt, J. L., S. Singh, S. Fan, Y. Gu, X. Xu, S.-W. Cheong, Z. Liu, D. Vanderbilt, and K. M. Rabe, Structural phase purification of bulk HfO₂:Y through pressure cycling. Proceedings of the National Academy of Sciences USA 121, e2312571121 (2024). (FIS) [OSTI ID 2332875]

1739.  Nan, S., S. Wang, F. Zhang, J. Niu, P. Zhai, Y. Liu, L. A. Boatner, S. Qin, J. Liu, M. Lang, R. C. Ewing, and W. Li, Zircon-to-reidite phase transition enhanced by minor radiation damage: Implications for hypervelocity impacts. Chemical Geology 654, 122041 (2024). [OSTI ID 2331289]

1740.  Huston, L. Q., L. Miyagi, R. J. Husband, K. Glazyrin, C. Kiessner, M. Wendt, H. P. Liermann, and B. T. Sturtevant, New dynamic diamond anvil cell for time-resolved radial x-ray diffraction.  Review of Scientific Instruments 95, 043904 (2024). [OSTI ID 2472843]

1741.  Susilo, R. A., C. I. Kwon, Y. Lee, N. P. Salke, C. De, J. Seo, B. Kang, R. J. Hemley, P. Dalladay-Simpson, Z. Wang, D. Y. Kim, K. Kim, S.-W. Cheong, H. W. Yeom, K. H. Kim, and J. S. Kim, High-temperature concomitant metal-insulator and spin-reorientation transitions in a compressed nodal-line ferrimagnet Mn₃Si₂Te₆.  Nature Communications 15, 3998 (2024). [OSTI ID 2350653]

1742.  Pulido, H. R., K. C. Bimal, R. S. Kumar, R. J. Hemley and J. A. Muñoz, Thermally frustrated phase transition at high pressure in B2-ordered FeV.  AIP Advances 14, 075108 (2024). [OSTI ID 2472642]

1743.  Kumar, R. S., H. Liu, Q. Li, Y. Xiao, P. Chow, Y. Meng, M. Y. Hu, E. Alp, R. J. Hemley, C. Chen, A. L. Cornelius and Z. Fisk, Effect of pressure on crystal structure and phonon density of states of FeSi.  Journal of Physical Chemistry C, 128, 8774-8784. [OSTI ID 2396921]

1744.  Su, T.,  B. J. Blankenau, N. Kim, J. A. Krogstad, and E. Ertekin, First-principles and cluster expansion study of the effect of magnetism on short-range order in Fe-Ni-Cr austenitic stainless steels. Acta Materialia 276, 120088. [OSTI ID 2403519]

1745.  Tkachev, S. N., C. Zoller, C. Kenney-Benson, M. Ahart, R. J. Hemley, V. N. Novikov, and S. Kojima, Pressure dependence of intermediate-range order and elastic properties of glassy baltic amber. Physical Review E 110, 024501 (2024). [OSTI ID 2426365]

1746.  Deng, Y., E. Lee-Wong, C. M. Moir, R. S. Kumar, N. Swedan, C. Park, D. Y. Popov, Y. Xiao, P. Chow, R. E. Baumbach, R. J. Hemley, P. S. Riseborough, and M. B. Maple, Structural transition and uranium valence change in UTe₂ at high pressure revealed by x-ray diffraction and spectroscopy. Physical Review B 110, 075140 (2024). [OSTI ID 2472842]

1747.  Whipple, Z. L., R. F. Ripani, J. Brahmbhatt, M. Ahart, N. Salke, Y. Meng, Z. Liu, S. Chariton, S. A. Gramsch, S. Chaudhuri, E. Parisi, R. Centore, and R. J. Hemley,  Structure, bonding and vibrational dynamics of a triamine high energy density material.  Journal of Physical Chemistry C 128, 16110-16119 (2024). [OSTI ID 2447779]

1748.  Manganaro, N. S., S. D. Ambos, M. DeCapua, S. D. Thiel, W. E. Mitchell, Z. Liu, D. Zhang, P. Q. H. Nguyen, B. Lavina, E. E. Alp, J. Yan, and J. P. S. Walsh, High pressure polymorphism in silver ferrite delafossite, AgFeO₂.  Inorganic Chemistry 63, 9763-9770 (2024). (FIS) [OSTI ID 2448560]

1749.  Clune, A. J., N. C. Harms, K. A. Smith, W. Tian, Z. Liu, and J. L. Musfeldt, Pressure-temperature-magnetic field phase diagram of multiferroic (NH₄)₂FeCl₅ . H₂O.  Inorganic Chemistry 63, 11021-11029 (2024) (FIS). [OSTI ID 2448592]

1750.  Pease, A., J. Liu, M. Lv., Y. Xiao, K. Armstrong, D. Popov, L. Miyagi, and S. M. Dorfman, Strength, plasticity, and spin transition of Fe-N alloys in planetary cores. Physics of the Earth and Planetary Interiors 355, 107236 (2024). [OSTI ID 2472643]

1751.  Denchfield, A., H. Park, and R. J. Hemley, Designing multicomponent hydrides with potential high T_c superconductivity. Proceedings of the National Academy of Sciences USA 121, e2413096121 (2024).[OSTI ID 2476246]

Mark, A. C. and Hemley, R. J. , On the lineshapes of temperature-dependent transport measurements of superconductors under pressure. Journal of Superconductivity and Novel Magnetism, in press.

VanNatta, P. E., C. M. Archambault, S. Wang, T. Lyu, J. D'Amelio, N. J. Martell, S. Watson, K. Wang, Z. Liu, M. T. Kieber-Emmons, and H. Yan, High pressure-derivd nonsymmetrical [Cu₂O]²⁺ core for room temperature methane hydroxylation. Science Advances, in press. (FIS)

Lim, J., S. Sinha, D. E. Jackson, R. S. Kumar, C. Park, R. J. Hemley, D. VanGennep, Y. K. Vohra, R. G. Hennig, P. J. Hirschfeld, G. R. Stewart, J. J. Hamlin, Effect of low-temperature compression on superconductivity and crystal structure in strontium metal. Physical Review B, in press.

Sakrikar, P., B. Shen, E. De Toledo Poldi, F. Bahrami, X. Hu, E. M. Kenney, Q. Wang, K. W. Fruhling, C. Wang, R. Gupta, R. Khasanov, H. Luetkens, S. A. Calder, A. A. Aczel, G. Fabbris, R. J. Hemley. K. W. Plumb, Y. Ran, P. Gegenwart, A. A. Tsirlin, D. Haskel, M. J. Graf, and F. Tafiti, Pressure tuning of competing interactions on a honeycomb lattice. Nature Communications, submitted.

Calderón-Cueva, M., A. Pease, W. Peng, M. Rylko, S. M. Dorfman, and A. Zevalkink, Compressibility and high pressure structure of CaMg₂Bi₂ and YbMg₂Bi₂. Physical Review B, submitted.

Blankenau, B. J., T. Su, and E. Ertekin, First-principles and Monte Carlo approach for investigating phase transformations in Heusler structure Ni-Mn-In shape memory alloys: Effects of magnetic and vibrational entropy. Acta Materialia, submitted.

Won, J., R. Zhang, C. Peng, R. Kumar, M. S. Gebre, D. Popov, R. J. Hemley, B. Bradlyn, T. P. Deveraux, and D. P. Shoemaker, Band gap and compressibility of Ag₃AuTe₂: Implications for strain-induced band tuning. arXiv: 2405.19517; Physical Review B, submitted.

Sinha, S., J. Lim, Z. Li, J. S. Kim, A. C. Hire, P. M. Dee, R. S. Kumar, D. Popov, R. J. Hemley, R. G. Hennig, P. J. Hirschfeld, G. R. Stewart, and J. J. Hamlin, Superconductivity in pressurized ReO_0.10Mo_0.90B₂.  arXiv: 2408.17416; Physical Review B, submitted.

Shi, Y., H. Cao, H.-C. Wu, L. Yin, N. Harrison, D. S. Parker, T. Bhowmick, T. McNamee, F. Safari, S. Bud'ko, J. C. Fettinger, S. M. Kauzlaurich, P. Klavins, D. Popov, R. Kumar, R. J. Hemley, S. Deemyad, T. J. Sato, P. C. Canfield, and V. Taufour, Anomalous temperature-dependent magnetization in the nearly collinear antiferromagnet Y₂Co₃.  Physical Review B, submitted.

Deng, L., B. Wang, C. Halbert, D. J. Schulze, M. Gooch, T. Bontke, T.-W. Kuo, X. Shi, S. Song, N. Salke, H.-D. Yang, Z. Ren, R. J. Hemley, E. Zurek, R. P. Prasankumar, and C.-W. Chu, Creation, stabilization, and study of at ambient pressure of pressure-induced superconductivity in Bi_0.5Sb_1.5Te₃.  Proceedings of the National Academy of Sciences USA, submitted.

Shahbazi, H., Pardis Seraji, H. Faraj, T. Yang, A. Kim, S. Fattahpour, I. Papailias, M. Diamond, S. Namvar, A. Ahmadiparidari, S. Wang, Z. Liu, K. Kumar, M. Aihaiti, J. Cabana, S. Kadkhodaei, J. Wang, Z. Huang, R. J. Hemley, and A. Salehi-Khojin. Resiliency, morphology, and transformations of a one-dimensional high-entropy oxide. Science, submitted.

Cabrera, A., F. Safari, H. Zhu, M. Ahart, R. Kumar, T. Driver, and R. J. Hemley, Synthesis, structure, and stability of a novel 2H-azirine.  Chemical Science, submitted.

Ripani, R. F., S. A. Gramsch, F. Safari, M. Ahart, Z. Liu, D. M. Dattlebaum, and R. J. Hemley, Vibrational dynamics and phase transitions of hydrazine to 50 GPa.  ACS Omega, submitted.

Reddington, M., H. P. Paudel, D. Tafen, D. P. Miller, E. Zurek, and Y. Duan, Tritium adsorption and absorption on (100) and (001) surfaces of pure and tin defective zirconium. Journal of Physical Chemistry C, submitted.

Fabbris, G., E. H. T. Poldi, S. Sinha, J. Lim, T. Elmslie, J. H. Kim, A. Said, M. Upton, M. Abramchuk, F. Bahrami, C. Kenney-Benson, C. Park, G. Shen, Y. K. Vohra, R. J. Hemley, J. J. Hamlin, F. Tafti, and D. Haskel, Novel electronic state of honeycomb iridate Cu₂IrO₃ at high pressure.  Physical Review B, submitted.

Geng, N., K. P. Hilleke, F. Belli, P. K. Das, and E. Zurek, Superconductivity in CH₄ and BH₄^- containing compounds derived from the high-pressure superhydrides. arXiv:2401.00088.

Denchfield, A., F. Belli, E. Zurek, H. Park, and R. J. Hemley, Quantum stabilization and flat hydrogen-based bands of nitrogen-doped lutetium hydride. arXiv:2403:01350.

Cohen, R. E., Y. Lin, M. Ahart, and R. J. Hemley, Formation of a post-perovskite phase and absence of high-pressure reentrant ferroelectricity in PbTiO₃.  arXiv:2310.18421.

Denchfield, A., H. Shin, P. Ganesh, R. J. Hemley, and H. Park, Correlation effects on coupled electronic and structural properties of doped rare earth trihydrides. arXiv:2410.03142.

Chen, X., E. T. H. Poldi, S. Huvan, R. Chapai, H. Zheng, S. L. Budko, U. Welp, P. C. Canfield, R. J. Hemley, J. F. Mitchell, and D. Phelan, Non-bulk superconductivity in Pr₄Ni₃O₁₀ single crystals under pressure. arXiv: 2410.10666.

Kesari, S., A. B Garg, N. P. Salke, and R. Rao, Giant negative linear compressibility in orthorhombic copper cyanide. arXiv: 2410.21623.