Two descriptors avoiding explicit bond consideration on relative surface energies of various terminations in a crystal
ABSTRACTA bulk crystal can be cleaved with various terminations, and finding stable terminations, which may have high Miller indices, is a non-trivial task. We propose two independent and complementary descriptors, based on the atom positions of the crystal only, for surface energies of various term...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2023-12-01
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| Series: | Science and Technology of Advanced Materials: Methods |
| Subjects: | |
| Online Access: | https://www.tandfonline.com/doi/10.1080/27660400.2023.2278323 |