title: Theoretical evaluation of zirconia and hafnia as gate oxides for si microelectronics.
abstract: Parameters determining the performance of the crystalline oxides zirconia (ZrO2) and hafnia (HfO2) as gate insulators in nanometric Si electronics are estimated via ab initio calculations of the energetics, dielectric properties, and band alignment of bulk and thin-film oxides on Si (001). With their large dielectric constants, stable and low-formation-energy interfaces, large valence offsets, and reasonable (though not optimal) conduction offsets (electron injection barriers), zirconia and hafnia appear to have considerable potential as gate oxides for Si electronics.
authors.affiliation: INFM and Dipartimento di Fisica, Università di Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.
authors.forename: Vincenzo
authors.initials: V
authors.lastname: Fiorentini
authors.forename: Gianluca
authors.initials: G
authors.lastname: Gulleri