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2018
V. Smetana, Mudryk, Y., Pecharsky, V. K., and Mudring, A. V., Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1, T2)(5)In (T = Cu, Ag, Au), Journal of Materials Chemistry C, vol. 6, pp. 1353-1362, 2018.
Z. L. Pan, Borovikov, V., Mendelev, M. I., and Sansoz, F., Development of a semi-empirical potential for simulation of Ni solute segregation into grain boundaries in Ag, Modelling and Simulation in Materials Science and Engineering, vol. 26, p. 075004, 2018.
P. Giraldo-Gallo, Walmsley, P., Sangiorgio, B., Riggs, S. C., McDonald, R. D., Buchauer, L., Fauque, B., Liu, C., Spaldin, N. A., Kaminski, A., Behnia, K., and Fisher, I. R., Evidence of Incoherent Carriers Associated with Resonant Impurity Levels and Their Influence on Superconductivity in the Anomalous Superconductor Pb1-xTlxTe, Physical Review Letters, vol. 121, p. 207001, 2018.
N. A. Zarkevich and Johnson, D. D., FeRh ground state and martensitic transformation, Physical Review B, vol. 97, p. 014202, 2018.
M. L. Rhodehouse, Bell, T., Smetana, V., Mudring, A. V., and Meyer, G. H., From the Nonexistent Polar Intermetallic Pt3Pr4 via Pt2-xPr3 to Pt/Sn/Pr Ternaries, Inorganic Chemistry, vol. 57, pp. 9949-9961, 2018.
B. Li, Wang, H., Kawakita, Y., Zhang, Q., Feygenson, M., Yu, H. L., Wu, D., Ohara, K., Kikuchi, T., Shibata, K., Yamada, T., Ning, X. K., Chen, Y., He, J. Q., Vaknin, D., Wu, R. Q., Nakajima, K., and Kanatzidis, M. G., Liquid-like thermal conduction in intercalated layered crystalline solids, Nature Materials, vol. 17, p. 226-+, 2018.
M. C. Nguyen, Yao, Y. X., Wang, C. Z., Ho, K. M., and Antropov, V. P., Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects, Journal of Physics-Condensed Matter, vol. 30, p. 195801, 2018.
M. Sakurai, Wu, S. Q., Zhao, X., Nguyen, M. C., Wang, C. Z., Ho, K. M., and Chelikowsky, J. R., Magnetocrystalline anisotropy in YCo5 and ZrCo5 compounds from first-principles real-space pseudopotentials calculations, Physical Review Materials, vol. 2, p. 084410, 2018.
H. Yibole, Pathak, A. K., Mudryk, Y., Guillou, F., Zarkevich, N., Gupta, S., Balema, V., and Pecharsky, V. K., Manipulating the stability of crystallographic and magnetic sub-lattices: A first-order magnetoelastic transformation in transition metal based Laves phase, Acta Materialia, vol. 154, pp. 365-374, 2018.
M. I. Mendelev, Zhang, F., Song, H., Sun, Y., Wang, C. Z., and Ho, K. M., Molecular dynamics simulation of the solid-liquid interface migration in terbium, Journal of Chemical Physics, vol. 148, p. 214705, 2018.
M. C. Nguyen, Chen, C., Zhao, X., Liu, J., Wang, C. Z., and Ho, K. M., Prediction of novel stable Fe-V-Si ternary phase, Journal of Alloys and Compounds, vol. 732, pp. 567-572, 2018.
V. Borisov, Canfield, P. C., and Valenti, R., Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family AeAFe(4)As(4), Physical Review B, vol. 98, p. 064104, 2018.
M. C. Nguyen, Taufour, V., Bud'ko, S. L., Canfield, P. C., Antropov, V. P., Wang, C. Z., and Ho, K. M., Using first-principles calculations to screen for fragile magnetism: Case study of LaCrGe3 and LaCrSb3, Physical Review B, vol. 97, p. 184401, 2018.
2017
J. Kangsabanik, Chouhan, R. K., Johnson, D. D., and Alam, A., Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys, Physical Review B, vol. 96, pp. 2469-9950, 2017.
M. C. Nguyen, Zhou, L., Tang, W., Kramer, M. J., Anderson, I. E., Wang, C. Z., and Ho, K. M., Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets, Physical Review Applied, vol. 8, p. 054016, 2017.
S. H. Zhou, Tackes, C., and Napolitano, R., Enthalpy of Mixing in Al-Tb Liquid, Entropy, vol. 19, p. 290, 2017.
F. Yang, Lin, S. W., Yang, L., Liao, J. J., Chen, Y. J., and Wang, C. Z., First-principles investigation of metal-doped cubic BaTiO3, Materials Research Bulletin, no. 245421, pp. 372-378, 2017.
N. H. Jo, Lin, Q. S., Nguyen, M. C., Kaluarachchi, U. S., Meier, W. R., Manni, S., Downing, S. S., Bohmer, A. E., Kong, T., Sun, Y., Taufour, V., Wang, C. Z., Ho, K. M., Bud'ko, S. L., and Canfield, P. C., Growth and characterization of BaZnGa, Philosophical Magazine, vol. 97, pp. 3317-3324, 2017.
U. S. Kaluarachchi, Deng, Y. H., Besser, M., Sun, K. W., Zhou, L., Nguyen, M. C., Yuan, Z. J., Zhang, C. L., Schilling, J. S., Kramer, M. J., Jia, S., Wang, C. Z., Ho, K. M., Canfield, P. C., and Bud'ko, S. L., Highly responsive ground state of PbTaSe2: Structural phase transition and evolution of superconductivity under pressure, Physical Review B, vol. 95, p. 224508, 2017.
L. L. Liu, Sun, H. J., Wang, C. Z., and Lu, W. C., High-pressure structures of yttrium hydrides, Journal of Physics-Condensed Matter, vol. 29, p. 325401, 2017.
X. J. Liu and Wang, C. Z., Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films, Journal of Physics-Condensed Matter, vol. 29, p. 185504, 2017.
V. Smetana, Steinberg, S., and Mudring, A. V., Layered Structures and Disordered Polyanionic Nets in the Cation Poor Polar Intermetallics CsAu1.4Ga2.8 and CsAu2Ga2.6, Design, vol. 17, pp. 693-700, 2017.
J. Cui, Ding, Q. P., Meier, W. R., Bohmer, A. E., Kong, T., Borisov, V., Lee, Y., Bud'ko, S. L., Valenti, R., Canfield, P. C., and Furukawa, Y., Magnetic fluctuations and superconducting properties of CaKFe4As4 studied by As-75 NMR, Physical Review B, vol. 96, p. 104512, 2017.
I. Bigun, Steinberg, S., Smetana, V., Mudryk, Y., Kalychak, Y., Havela, L., Pecharsky, V., and Mudring, A. V., Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials, Chemistry of Materials, vol. 29, pp. 2599-2614, 2017.

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