Concepedia

Thermal transport property of novel two-dimensional nitride phosphorus: An ab initio study

Bing Lv, Xiaona Hu, Ning Wang, Jia Song, Xuefei Liu, Zhibin Gao

Applied Surface Science · 2021 · 18 citations · 38 references

DOI

Concepts

References

38

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +17

Superior Thermal Conductivity of Single-Layer Graphene

Alexander A. Balandin, Suchismita Ghosh, Wenzhong Bao et al. · Nano Letters · 2008 · 13.7K citations

, , +17