76 citations · 389 across the 20 of their papers we have counts for
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Metastable polymorphic phases in monolayer TaTe2
Iolanda Di Bernardo, Joan Ripoll-Sau, Fabian Calleja +6
Polymorphic phases and collective phenomena - such as charge density waves (CDWs) - in transition metal dichalcogenides (TMDs) dictate the physical and electronic properties of the…
Competition between Ta-Ta and Te-Te bonding leading to the commensurate charge density wave in TaTe4
Bogdan Guster, Miguel Pruneda, Pablo Ordejón +1
The origin of the charge density wave in TaTe is discussed on the basis of a first-principles DFT analysis of the Fermi surface, electron-hole response function, phonon band st…
Electron-hole response function of transition metal trichalcogenides NbSe and monoclinic-TaS
Bogdan Guster, Miguel Pruneda, Pablo Ordejón +2
NbSe and monoclinic-TaS (-TaS) are quasi-1D metals containing three different types of chains and undergoing two different charge density wave (CDW) Peierls transiti…
Strain control of the competition between metallic and semiconducting states in single-layers of TaSe
Jose Angel Silva-Guillén, Enric Canadell
TaSe is a metallic layered material whose structure is built from TaSe trigonal prismatic chains. In this work we report a first-principles density functional theory study…
Polymorphism in Bi-based perovskite oxides: a first-principles study
Akansha Singh, Viveka N. Singh, Enric Canadell +2
Under normal conditions, bulk crystals of BiScO , BiCrO, BiMnO, BiFeO, and BiCoO present three very different variations of the perovskite structure: an antipol…
Meta-screening and permanence of polar distortion in metallized ferroelectrics
Hong Jian Zhao, Alessio Filippetti, Carlos Escorihuela-Sayalero +5
Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such distortions in the presence of free charge is the key to the physics of metallized…