Content
Project Publications
- Mandal, S; Cohen R. E; Haule, K; Pressure suppression of electron correlation in the collapsed tetragonal phase of CaFe2Se2: A DFT-DMFT investigation, Phys. Rev. B, 060501(R), (2014).
- Mandal, S; Cohen R. E; Haule, K; Strong pressure-dependent electron-phonon coupling in FeSe, Phys. Rev. B Rapid Communications, 89, 220502(R), (2014).
- Zha, C-S; Cohen, R. E.; Mao, H. K; Hemley, R. J.; Raman measurements of phase transitions in dense solid hydrogen and deuterium to 325 GPa, Proc. Natl, Acad. Sci. USA 111, 4792-4797 (2014)
- Lin, Y.; Cohen, R. E.; Stackhouse, S.; Driver, K. P.; Militzer, B.; Shulenburger, L.; Kim. J; Equations of state and stability of MgSiO3 pervoskite and post-perovskite phases from quatumn Monte Carlo simulations, Phys. Rev. B 90, 184103 (2014)
- Zhang, P; Cohen, R.E; Haule, K; Effects of electron correlations on transport properties of iron at Earth’s core conditions, Nature 517, 605 (2015)
- J. F. Nossa, Ivan I. Naumov, and R. E. Cohen: Effects of manganese addition on the electronic structure of BaTiO3, Phys. Rev. B 91, 214105 (2015).
- Azadi, S. & Cohen, R. E.: Chemical accuracy from quantum Monte Carlo for the benzene dimer. J Chem Phys 143, 104301, 10.1063/1.4930137 (2015).
- Lin, Y. Z., Strobel, T. A. & Cohen, R. E.: Structural diversity in lithium carbides. Phys Rev B 92, 214106,10.1103/PhysRevB.92.214106 (2015).
- Yangzheng Lin, R. E. Cohen, Andrea Floris, Luke Shulenburger, and Kevin P. Driver: Accurate perovskite to post-perovskite phase boundary from Quantum Monte Carlo, submitted.
- Sam Azadi and R.E. Cohen, Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo (2016).
- Liu, Shi and Cohen, R.E., Response of Methylammonium Lead Iodide to External Stimuli and Caloric Effects from Molecular Dynamics Simulations, The Journal of Physical Chemistry C, (2016).
- Yangzheng Lin, Zhisheng Zhao, Timothy A. Strobel, and R. E. Cohen: Interpenetrating Graphene Networks: Mixed sp2-sp3 Carbon Allotropes with Tunable Mechanical and Electronic Properties, submitted.
- Ioannis Skarmoutsos: Structure and dynamics of water-CO2 mixtures at elevated temperatures and pressures: Insights from classical and quantum molecular dynamics, unpublished.
- Liu, Shi and Cohen, R.E., Stable Charged Antiparallel Domain Walls in Hyperferroelectrics, J. Phys. Cond. Matt., in press, https://arxiv.org/abs/1703.03996.
- Liu, Shi and Cohen, R.E., Origin of stationary domain wall enhanced ferroelectric susceptibility, Phys. Rev. B, 95, 094102 (2017), https://arxiv.org/abs/1609.08989.
- Liu, Shi and Cohen, R.E., Origin of Defect Dipole-Enhanced Electromechanical Coupling, submitted, https://arxiv.org/abs/1704.06740.
- Muhtar Ahart, Maddury Somayazulu, Rajasekarakumar Vadapoo, Nicholas Holtgrewe, Yue Meng, Russell J. Hemley, and R. E. Cohen, Synthesis of Polar Ordered Oxynitride Perovskite, Phys. Rev. B, in press, 2017.
- Improving the Functional Control of Aged Ferroelectrics using Insights from Atomistic Modelling, J. B. J. Chapman,1, 2 R. E. Cohen,1, 3, 4 A. V. Kimmel,1 and D. M. Duy1, https://arxiv.org/abs/1705.09709, 2017.
- Multiscale Simulations of Defect Dipole-Enhanced Electromechanical Coupling at Dilute Defect Concentrations, Shi Liu, R. E. Cohen, https://arxiv.org/abs/1704.06740, 2017.
- Electric field induced phase transition and electrocaloric effect in PMN-PT, H.H. Wu, R.E. Cohen, https://arxiv.org/abs/1706.01034, 2017.
- Origin of Negative Longitudinal Piezoelectric Effect. Shi Liu, R. E. Cohen, https://arxiv.org/abs/1708.07240v1, 2017
- Polarization rotation and the electrocaloric effect in barium titanate. H H Wu , R E Cohen, https://doi.org/10.1088/1361-648X/aa94db
- Valence and Spin fluctuations in Mn-doped ferroelectric BaTiO3. Subhasish Mandal, R. E. Cohen, K. Haule, https://arxiv.org/abs/1803.07134 Submitted on 19 Mar 2018
- Junqing Xu, Peng Zhang, K. Haule, Jan Minar, Sebastian Wimmer, Hubert Ebert, and R. E. Cohen: Thermal conductivity and electrical resistivity of solid iron at Earth’s core conditions from first principles, https://arxiv.org/abs/1710.03564
- Pradhan, D. K., S. Kumari, D. K. Pradhan, A. Kumar, R. S. Katiyar and R. E. Cohen (2018). "Effect of Substrate Temperature on Structural and Magnetic Properties of c-axis Oriented Spinel Ferrite Ni0.65Zn0.35Fe2O4 (NZFO) Thin Films." J. Alloys Compounds 766, 1074-1079, 2018. https://arxiv.org/abs/1804.02458
- Haiwu Zhang, B.Yu. Yavorsky and R.E. Cohen: "Polar Metallocenes", 2019. http://www.mdpi.com/1420-3049/24/3/486/pdf
- A. V. Kimmel, O. T. Gindele , D. M. Duffy , and R. E. Cohen: "Giant electrocaloric effect at theantiferroelectric-to-ferroelectric phaseboundary in Pb(ZrxTi1–x)O3", 10.07.2019. https://doi.org/10.1063/1.5096592
- A. Levi and R. E. Cohen: "The Equation of State of MH-III: A Possible Deep CH4 Reservoir in Titan, Super-Titan
Exoplanets, and Moons", 04.09.2019. https://doi.org/10.3847/1538-4357/ab2f76