J. Baima

activity

20162020

most citedCritical role of the exchange interaction for the electronic structure and charge-density-wave formation in TiSe2

78 citations · 321 across the 10 of their papers we have counts for

collaborators

Showing 2016Show all

3 papers · 1 filter

cond-mat.mtrl-sci2016★ 71 cited

Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles

Betül Pamuk, Jacopo Baima, Francesco Mauri +1

We investigate the occurrence of magnetic and charge density wave instabilities in rhombohedral-stacked multilayer (three to eight layers) graphene by first principles calculations…

cond-mat.mtrl-sci2016★ 33 cited

Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculations

J. Baima, A. Zelferino, P. Olivero +2

Quantum-mechanical ab initio calculations are performed to elucidate the vibrational spectroscopic features of a common irradiation-induced defect in diamond, i.e. the neutral vaca…

cond-mat.supr-con2016★ 7 cited

Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of Li $_{x}$ ZrNCl

Betül Pamuk, Jacopo Baima, Roberto Dovesi +2

We investigate the capability of density functional theory (DFT) to appropriately describe the spin susceptibility, $χ_{s}$ , and the intervalley electron-phonon coupling in Li $_{x}$ ZrN…

Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles

Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculations

Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of Lix​ZrNCl

Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of Li $_{x}$ ZrNCl