Keywords
Affiliated Institutions
Related Publications
Transition pathway of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">C</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>crystals under high pressures
The pressure-induced transitions from molecular to nonmolecular CO2 crystals are systematically investigated by using first-principles lattice dynamics calculations. Geometrical...
<i>Ab initio</i> Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite
The phonon dispersion relations of diamond and graphite are calculated using an ab initio force constant method. The force constants are calculated via a self-consistent superce...
Dynamical simulations of radiation damage and defect mobility in MgO
Collision cascades are investigated in MgO at energies ranging from $400\phantom{\rule{0.3em}{0ex}}\mathrm{eV}\phantom{\rule{0.3em}{0ex}}\text{to}\phantom{\rule{0.3em}{0ex}}5\ph...
Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment
An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results f...
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
The lead chalcogenides represent an important family of functional materials,\nin particular due to the benchmark high-temperature thermoelectric performance\nof PbTe. A number ...
Publication Info
- Year
- 1946
- Type
- article
- Volume
- 24
- Issue
- 1
- Citations
- 64
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1007/bf03170739