31 citations · 63 across the 4 of their papers we have counts for
4 papers
On the diagonalization of quadratic Hamiltonians
Ville J. Härkönen, Ivan A. Gonoskov
A new procedure to diagonalize quadratic Hamiltonians is introduced. We show that one can find a unitary transformation such that the transformed quadratic Hamiltonian is diagonal…
Ab initio computational study on the lattice thermal conductivity of Zintl clathrates [SiP]Cl and Na[AlSi]
Ville J. Härkönen, Antti J. Karttunen
The lattice thermal conductivity of silicon clathrate framework Si and two Zintl clathrates, [SiP]Cl and Na[AlSi], is investigated by u…
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…
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…