Ville J. Härkönen

activity

20142021

most citedAb initio lattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion

31 citations · 63 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2016★ 11 cited

Ab initio computational study on the lattice thermal conductivity of Zintl clathrates [Si $_{19}$ P $_{4}$ ]Cl $_{4}$ and Na $_{4}$ [Al $_{4}$ Si $_{19}$ ]

Ville J. Härkönen, Antti J. Karttunen

The lattice thermal conductivity of silicon clathrate framework Si $_{23}$ and two Zintl clathrates, [Si $_{19}$ P $_{4}$ ]Cl $_{4}$ and Na $_{4}$ [Al $_{4}$ Si $_{19}$ ], is investigated by u…

cond-mat.mtrl-sci2015★ 21 cited

Ab initio studies on the lattice thermal conductivity of silicon clathrate frameworks II and VIII

Ville J. Härkönen, Antti J. Karttunen

The lattice thermal conductivities of silicon clathrate frameworks II and VIII are investigated by using ab initio lattice dynamics and iterative solution of the linearized Boltzma…

cond-mat.mtrl-sci2014★ 31 cited

Ab initio lattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion

Ville J. Härkönen, Antti J. Karttunen

The thermal and lattice dynamical properties of seven silicon clathrate framework structures are investigated with ab initio density functional methods (frameworks I, II, IV, V, VI…

Ab initio computational study on the lattice thermal conductivity of Zintl clathrates [Si19​P4​]Cl4​ and Na4​[Al4​Si19​]

Ab initio studies on the lattice thermal conductivity of silicon clathrate frameworks II and VIII

Ab initio lattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion

Ab initio computational study on the lattice thermal conductivity of Zintl clathrates [Si $_{19}$ P $_{4}$ ]Cl $_{4}$ and Na $_{4}$ [Al $_{4}$ Si $_{19}$ ]