Abstract / Description of output
We present results of high-pressure single-crystal x-ray-diffraction studies and ab initio pseudopotential calculations of stoichiometric TiS2. Neither present any evidence for a structural phase transition; it is shown that the material undergoes an isostructural semiconductor-semimetal phase transition between 4 and 6 GPa.
Original language | English |
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Pages (from-to) | 5106-5110 |
Number of pages | 5 |
Journal | Physical review B |
Volume | 57 |
Issue number | 9 |
Publication status | Published - 1 Mar 1998 |
Keywords / Materials (for Non-textual outputs)
- METAL DICHALCOGENIDES
- ELECTRONIC-STRUCTURE
- GROUND-STATE
- PSEUDOPOTENTIALS
- PHOTOEMISSION
- KBAR
- CELL
- GPA