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Scientific Reports|November 14, 2014
Thermal expansion anomaly regulated by entropyZi-Kui Liu, Yi Wang, ShunLi ShangJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 11, 2011
Magnetic phase transformations of face-centered cubic and hexagonal close-packed Co at zero KelvinJames E Saal, ShunLi Shang, Yi Wang, et al.Inorganic Chemistry|October 15, 2010
Thermodynamic properties of Co3O4 and Sr6Co5O15 from first-principlesJames E Saal, Yi Wang, ShunLi Shang, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|November 15, 2011
Phonon dispersions in random alloys: a method based on special quasi-random structure force constantsYi Wang, Chelsey L Zacherl, Shunli Shang, et al.Physical Review Letters|July 16, 2013
BiFeO3 domain wall energies and structures: a combined experimental and density functional theory+U studyYi Wang, Chris Nelson, Alexander Melville, et al.Materials (Basel, Switzerland)|August 5, 2017
Fundamentals of Thermal Expansion and Thermal ContractionZi-Kui Liu, Shun-Li Shang, Yi WangJournal of Computational Chemistry|March 18, 2015
Bonding charge density from atomic perturbationsYi Wang, William Yi Wang, Long-Qing Chen, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 16, 2011
Temperature-dependent elastic stiffness constants of α- and θ-Al2O3 from first-principles calculationsShun-Li Shang, Hui Zhang, Yi Wang, et al.Physical Chemistry Chemical Physics : PCCP|September 21, 2022
Unexpected low thermal expansion coefficients of pentadiamondMingqing Liao, Yi Wang, Fengjiang Wang, et al.Inorganic Chemistry|July 1, 2011
First-principles study of lattice dynamics and thermodynamics of TiO2 polymorphsZhi-Gang Mei, Yi Wang, Shun-Li Shang, et al.Pageof 1,679