340 citations · 532 across the 5 of their papers we have counts for
5 papers
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
Giovanni Pizzi, Dmitri Volja, Boris Kozinsky +2
We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Bo…
Electronic, vibrational and transport properties of pnictogen substituted ternary skutterudites
Dmitri Volja, Boris Kozinsky, An Li +3
First principles calculations are used to investigate electronic band structure and vibrational spectra of pnictogen substituted ternary skutterudites. We compare the results with…
Can disorder alone destroy the eg' hole pockets of NaxCoO2? A Wannier function based first-principles method for disordered systems
Tom Berlijn, Dmitri Volja, Wei Ku
We investigate from first principles the proposed destruction of the controversial eg' pockets in the Fermi surface of NaxCoO2 due to Na disorder, by calculating its k-dependent co…
Charge Ordering in Half-Doped Manganites: Weak Charge Disproportion and Leading Mechanisms
Dmitri Volja, Wei-Guo Yin, Wei Ku
The apparent contradiction between the recently observed weak charge disproportion and the traditional Mn/Mn picture of the charge-orbital orders in half-doped mangan…
Orbital ordering in LaMnO: Electron-electron versus electron-lattice interactions
Wei-Guo Yin, Dmitri Volja, Wei Ku
The relative importance of electron-lattice (e-l) and electron-electron (e-e) interactions in ordering orbitals in LaMnO is systematically examined within the LDA+ approxima…