Electronic and thermodynamic properties of native point defects in V₂O₅: a first-principles study

Abstract

Formation of native point defects in semiconductor and their behaviors play a crucial role in material properties. Although native defects of V2O5 include vacancies, self-interstitials, and antisites, only oxygen vacancy...

Ultrathin 2D-oxides: A perspective on fabrication, structure, defect, transport, electron, and phonon properties

“…We should also point out that electron-phonon coupling has been found to play an important role in V 2 O 5 and leads to the formation of self-trapped polarons. [43][44][45] The transport is therefore of polaron hopping nature. Finally, the anisotropy of the phonons in both V 2 O 5 and MoO 3 leads to fairly wide frequency ranges where the dielectric function in the mid-infrared range is positive in one direction and negative in another.…”

“…Ultrathin layers of MoO 3 have been successfully exfoliated and high mobilities have been reported by some authors. [42] The properties of these layered materials, which in their pure form are fairly wide gap insulators, are strongly modified by defects, such as oxygen vacancies [43][44][45] or by intercalation with alkali or alkaline earth atoms. This leads essentially to doping of the lowest conduction bands of the insulator with electrons and turns them into n-doped semiconductors.…”

Fabrication of a Mesoporous Multimetallic Oxide-based Ion-Sensitive Field Effect Transistor for pH Sensing

“…The transfer characteristic is shown in Figure a, with V DS = 0.1 V. Modulation of the conductance of the oxide-based EGFET sensors upon the binding of the target depends on the concentration . Native n-doping is commonly attributed to the omnipresent electron-donating oxygen vacancies, especially in metal oxide, even though the n-doping character of oxygen vacancies has been disputed . Surface potential change leads to the gradient shift in threshold voltage of the I DS – V GS curve when a MoO 3 sensing membrane exposed in different aqueous buffer solutions.…”

“…26 Native n-doping is commonly attributed to the omnipresent electron-donating oxygen vacancies, especially in metal oxide, 27 even though the n-doping character of oxygen vacancies has been disputed. 28 3a,b. Compared with other devices, a relatively higher sensitivity gives a clue of smaller grain size and smoother topography.…”

Delocalization of dark and bright excitons in flat-band materials and the optical properties of V$_2$O$_5$

“…Later work showed that the effect was largely overestimated and that it should rather reduce the gap by an amount of the order of 0.2 eV, way too small to account for the gap overestimate 33,34 . While the formation of self-trapped electron polarons has been found to be important in V 2 O 5 [35][36][37] , they are not expected to occur at the time scale of an optical absorption and can thus not explain the discrepancy. On the purely electronic side, the accuracy of QSGW calculations is limited by the fact that no electron-hole interaction effects are included in the calculation of W .…”