First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures

By Atsushi Togo, F. Oba, Isao Tanaka. 2008

3,631 citations recorded by the source corpus.

Subfields: Electronic, Optical and Magnetic Materials, Geophysics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/7b9a96f2550144e201daf55a3c01b07443fbeb4f

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In Electronic, Optical and Magnetic Materials

1. N. Spaldin
2. Natalio Mingo
3. Jesús Carrete
4. Wu Li
5. M. Fiebig
6. Atsushi Togo
7. Isao Tanaka
8. M. Chshiev

In Geophysics

1. N. Spaldin
2. Wu Li
3. Natalio Mingo
4. Jesús Carrete
5. Hao Zhang
6. Bo Peng
7. Hezhu Shao
8. Heyuan Zhu

In Materials Chemistry

1. Jesús Carrete
2. Natalio Mingo
3. N. Spaldin
4. Wu Li
5. Shidong Wang
6. Stefano Curtarolo
7. Isao Tanaka
8. Atsushi Togo

Citations in the corpus

• Very large Dzyaloshinskii-Moriya interaction in two-dimensional Janus manganese dichalcogenides and its application to realize skyrmion states (2019, methodology): “e integration. All the structures are fully relaxed until the force acting on each atom is less than 0.001 eV/Å. Phonon dispersions are calculated with a 4 × 4 × 1 supercell by using the PHONOPY code [40, 41] along with the density-functional perturbation theory (DFPT) [42]. Results and discussions ”