Temperature-driven phase transitions from first principles including all relevant excitations: The fcc-to-bcc transition in Ca
Author:
Funder
U.S. Department of Energy
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.84.214107/fulltext
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1. High-Pressure Phases of Calcium: Density-Functional Theory and Diffusion Quantum Monte Carlo Approach
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5. Understanding the Phase Transitions of theNi2MnGaMagnetic Shape Memory System from First Principles
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