Gapless band structure of PbPdO2: A combined first principles calculation and experimental study

Abstract

We present experimental evidence of the gapless band structure of PbPdO2 by combined x-ray photoemission and x-ray absorption spectra complemented with first principles band structure calculations. The electronic structure near the Fermi level of PbPdO2 is mainly composed of O 2p and Pd 4d bands, constructing the conduction path along the Pd-O layer in PbPdO2. Pd deficiency in PbPdO2 causes decreased O 2p-Pd 4d and increased O 2p-Pb 6p hybridizations, thereby inducing a small band gap and hence reducing conductivity. Hall measurements indicate that PbPdO2 is a p-type gapless semiconductor with intrinsic hole carriers transporting in the Pd-O layers.

Strain-induced diverse transitions in physical nature in the newly designed inverse Heusler alloy Zr 2 MnAl

“…Half-metallic ferromagnets (HMFs) [1], half-metallic fully compensated ferrimagnets (HMFCFs) [5,6], spin gapless semiconductors (SGSs) [7][8][9][10][11][12][13][14][15][16][17][18], and fully compensated ferromagnetic spin gapless semiconductors (FCF-SGSs) [19][20][21] have recently received considerable interest due to their applications in a number of novel spintronic devices. The energy band diagrams for these four kinds of materials are presented in Fig.…”

Electronic structure and its external electric field modulation of PbPdO2 ultrathin slabs with (002) and (211) preferred orientations

“…Chen et al . 9 found that Pd deficiency in PbPdO 2 would cause increased O 2p-Pb 6p and decreased O 2p-Pd 4d hybridizations, which induces a small band gap and hence reducing conductivity. Srivastava et al .…”

Pb2PdO2(OH)2 and Pb2PdO(OH)4(H2O): Synthesis and Crystal Growth at Ambient Conditions

“…For performing such explorative studies we focus herein on the system Pb/Pd/O/(OH) since the respective binary hydroxides exhibit low solubilities and can be easily dehydrated. Moreover, known PbPdO 2 , containing the lone pair active ion Pb 2+ and the d 8 configured Pd 2+ ion in square‐planar coordination,14 has recently attracted appreciable interest because experimental as well as theoretical evidence of a gapless band structure has been provided 15–19. Doping magnetic ions into such a structure, and into lead palladates in general, might open prospects for special magnetic ground states and unusual magnetotransport properties.…”