Concepedia

Strong lattice anharmonicity securing intrinsically low lattice thermal conductivity and high performance thermoelectric SnSb2Te4 via Se alloying

Hong Wu, Xu Lu, Guoyu Wang, Kunling Peng, Bin Zhang, Yongjin Chen, Xiangnan Gong, Xiaodan Tang, Xuemei Zhang, Zhenzhen Feng,

Nano Energy · 2020 · 73 citations · 49 references

DOI

Concepts

References

49

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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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

First principles phonon calculations in materials science

Atsushi Togo, Isao Tanaka · Scripta Materialia · 2015 · 11.3K citations · Full text

, , +14

Complex thermoelectric materials

G. Jeffrey Snyder, Eric S. Toberer · Nature Materials · 2008 · 11.1K citations