Pressure-induced chemical decomposition of copper orthovanadate (α-Cu₃V₂O₈)

Abstract

The high pressure stability of α-Cu3V2O8 has been investigated via complementary high pressure synchrotron X-ray diffraction experiments and theoretical density functional theory calculations. The results of both experiment and theory...

Pressure-Induced Phase Transition and Band Gap Decrease in Semiconducting β-Cu2V2O7

“…Numbers in parentheses are the estimated standard error in the least significant digit. These bulk moduli are comparable to some of the lowest observed in other vanadate materials, for example Cu 3 V 2 O 8 and Zn 2 V 2 O 7 , at 52(2) and 58(9) GPa, respectively. , …”

“…These bulk moduli are comparable to some of the lowest observed in other vanadate materials, for example Cu 3 V 2 O 8 and Zn 2 V 2 O 7 , at 52(2) and 58(9) GPa, respectively. 54,55 Figure 5b shows the normalized stress, F E , as a function of Eulerian strain, f E . The F E versus f E plot provides assessment of the quality of the fitted EoS, whereby a zero-gradient fit to the data indicates that a second-order truncation of the BM EOS is suitable (see ref 27 for more details).…”

An Investigation of the Pressure-Induced Structural Phase Transition of Nanocrystalline α-CuMoO4

“…The second fact that facilitates the reduction of volume in CuMoO 4 is that it can be achieved by tilting of the polyhedra. It should be noted that with respect to its polyhedral constitution, CuMoO 4 is more similar to Cu 3 V 2 O 8 and Cu 2 V 2 O 7 [45,46] than to typical orthomolybdates [47,48]. This is consistent in that the two vanadates have bulk moduli of 52 and 64 GPa, respectively; values that are comparable to the bulk modulus of αand γ-CuMoO 4 .…”

Pressure-induced phase transitions and electronic properties of Cd2V2O7

“…If we use our calculated EoS (to be discussed in next subsection) and assume the experimentally determined volume at ambient pressure, this volume corresponds to a pressure of −4 GPa. Thus, as assumed in related compounds, 42 in the discussion of results we have considered there is an offset of 4 GPa between calculated ( P calc ) and real pressures. In Fig.…”