Density-functional investigation of the rhombohedral to simple-cubic phase transition of arsenic
We report on our investigation of the crystal structure of arsenic under compression, focusing primarily on the pressure-induced A7→simple-cubic (sc) phase transition. The two-atom rhombohedral unit cell is subjected to pressures ranging from 0 to 200 GPa. For each given pressure, cell lengths and a...
| Main Authors: | , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2008
|