Electronic structure of the spin gapless material Co-doped PbPdO<sub>2</sub>

Srivastava, Pooja; Nagare, Balasaheb J.; Kanhere, D. G.; Sen, Prasenjit

doi:10.1063/1.4821039

Cited by 11 publications

(5 citation statements)

References 38 publications

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“…Srivastava et al . 10 reported theoretically that the couplings between Co spins were mediated through the Pd and O atoms rather than Pb atoms. Moreover, the colossal electroresistance should be associated with the external electric field modulation of the band gap for PbPdO 2 .…”

Section: Introductionmentioning

confidence: 99%

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

Yang

Zhong

et al. 2017

Sci Rep

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The Electronic structure of PbPdO2 with (002) and (211) preferred orientations were investigated using first-principles calculation. The calculated results indicate that, (002) and (211) orientations exhibit different electric field dependence of band-gap and carrier concentration. The small band gap and more sensitive electric field modulation of band gap were found in (002) orientation. Moreover, the electric field modulation of the resistivity up to 3–4 orders of magnitude is also observed in (002) slab, which reveals that origin of colossal electroresistance. Lastly, electric field modulation of band gap is well explained. This work should be significant for repeating the colossal electroresistance.

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Section: Introductionmentioning

confidence: 99%

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

Yang

Zhong

et al. 2017

Sci Rep

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“…[10][11][12] Most of the studies have been done on the magnetically doped PbPdO 2 . [4][5][6][7][8][9][10][11][12][13][14][15] In this work, we investigate the fundamental physical properties of Zn-and Cu-doped PbPdO 2 , i.e., PbPd 0.9 Zn 0.1 O 2 , and PbPd 0.9 Cu 0.1 O 2 , which are diamagnetic and paramagnetic, respectively. These different magnetic states are related with the O 2p-Pd 4d hybridized states interacting with the different 3d electronic states of Zn and Cu ions.…”

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confidence: 99%

“…3 Following this paper, these materials of PbPdO 2 and Pb(Pd,Co)O 2 have been theoretically and experimentally surveyed in depth. [4][5][6][7] The studies of X-ray spectroscopy and band calculations revealed that the electronic structure near the Fermi level of PbPdO 2 is composed of O 2p-Pd 4d hybridized states, which can interact with Co 3d states when Co is substituted. It causes spin splitting at the band edge, resulting in fascinating physical properties such as high-temperature ferromagnetism, colossal electroresistance, and giant magnetoresistance.…”

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confidence: 99%

Magnetic versus nonmagnetic ion substitution effects in gapless semiconductor PbPdO2

Lee

Choo

Jung

2015

Applied Physics Letters

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PbPdO2 is a gapless semiconductor, of which the physical properties are easily tuned by external parameters such as temperature, magnetic field, and chemical doping. We have studied the physical properties tuned by magnetic and nonmagnetic ion substitutions. When Pd in PbPdO2 is substituted by Zn, that is, divalent and nonmagnetic with 3d10 (S = 0), the electrical resistivity decreases and the magnetic properties are not changed to remain diamagnetic. However, by substituting Cu2+ (3d9) with S = 1/2, the electrical resistivity increases and the magnetization shows paramagnetic behavior. Another noticeable feature in the magnetic versus nonmagnetic ion substitution is found in the magneto-transport data. The magnetoresistance for PbPd0.9Cu0.1O2 is positive, compared with the negative behavior for PbPd0.9Zn0.1O2. These results propose that chemical dopants play an important role in optimizing the tunability of the physical properties of gapless semiconductors.

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“…So far, bulk PbPdO 2 has shown p -type conductivity with room temperature mobilities in the range 12.65-159.30 cm 2 V −1 s −1 [20]. Although the colossal electroresistance (CER) and giant magnetoresistance (GMR) have been reported in PbPdO 2 -based thin films [21][22][23][24], the carrier mobility of 2D PbPdO 2 ultrathin films was still not reported. Obviously, it is urgent to uncover the carrier mobility and further explore high mobility samples from PbPdO 2 ultrathin films.…”

Section: Introductionmentioning

confidence: 99%

Strain-engineered indirect–direct band-gap transitions of PbPdO₂ slab with preferred (0 0 2) orientation

Yang

Zhong

et al. 2019

J. Phys.: Condens. Matter

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Layered transition metal oxide PbPdO 2 has great potential application in electronic devices because of its unique electronic structure and large thermoelectric power at room temperature. In this work, strain effect on the electronic structure of PbPdO 2 slab with preferred (0 0 2) orientation was systematically investigated using first-principles calculation. The calculated results indicate that PbPdO 2 ultrathin slab possesses a small indirect gap while an indirectdirect band gap transition occurs when a moderate 2% compression or tensile strain is applied on the slab. Moreover, this strain induced indirect-direct band gap transition was analyzed in detail using the charge density difference at different point of valence band. The charge transfer and energy barrier with charge polarization resulting from the changes of bond length and angle for Pd-O bonding under the strain, have been accounted for this transition. Remarkablely, for the (0 0 2) preferred orientation PbPdO 2 slab, the predicted carrier mobilities of electrons and holes are 11 645.31 and 694.60 cm 2 V −1 s −1 along the x-axis direction, 935.05 and 16.05 cm 2 V −1 s −1 along the y -axis direction, respectively. These calculated mobilities of electrons along the x-axis direction are larger than those for 2D MoS 2 (~400 cm 2 V −1 s −1 ), and being comparable to those for InSe (10 3 cm 2 V −1 s −1 ) and black phosphorene (10 3 -10 4 cm 2 V −1 s −1 ). It is strong suggested that the (0 0 2) orientated PbPdO 2 slab with high mobility should be an ideal candidate material for the application of electronics devices.

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Electronic structure of the spin gapless material Co-doped PbPdO₂

Cited by 11 publications

References 38 publications

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

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

Magnetic versus nonmagnetic ion substitution effects in gapless semiconductor PbPdO2

Strain-engineered indirect–direct band-gap transitions of PbPdO₂ slab with preferred (0 0 2) orientation

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Electronic structure of the spin gapless material Co-doped PbPdO2

Cited by 11 publications

References 38 publications

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

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

Magnetic versus nonmagnetic ion substitution effects in gapless semiconductor PbPdO2

Strain-engineered indirect–direct band-gap transitions of PbPdO2 slab with preferred (0 0 2) orientation

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Electronic structure of the spin gapless material Co-doped PbPdO₂

Strain-engineered indirect–direct band-gap transitions of PbPdO₂ slab with preferred (0 0 2) orientation