Metal-Insulator Transitions and Possible Quantum Effects in Supported Nickel Monolayers

Metallicity of Ultrathin Metal Layers

“…However, Burdett and co-workers 33,34 calculate that an isolated close-packed Ni monolayer should be metallic but that interaction with either O or Bz on W(110) destroys this. The argument for O is as follows: Interaction of O with Ni leads to formation of a bonding orbital with largely O 2p character and an antibonding one with largely Ni 4s character.…”

“…For Pd and Ni with formal structures 4d 9 5s 1 and 3d 9 4s 1 , the reduced strengths and numbers of hopping matrix elements in very thin layers could narrow the s bands to the point where overlap with the d bands is reduced, the latter becoming nearly full and the former nearly empty, with a resultant decrease in or loss of metallicity. However, Burdett and co-workers , calculate that an isolated close-packed Ni monolayer should be metallic but that interaction with either O or Bz on W(110) destroys this. The argument for O is as follows: Interaction of O with Ni leads to formation of a bonding orbital with largely O 2p character and an antibonding one with largely Ni 4s character.…”