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J. Laverock

Publications and source records attributed to J. Laverock.

At least 19 recordsLinked to original sources

Composition-driven Mott transition within SrTi$_{\rm 1-x}$V$_{\rm x}$O$_3$

The last few decades has seen the rapid growth of interest in the bulk perovskite-type transition metal oxides SrVO$_3$ and SrTiO$_3$. The electronic configuration of these perovskites differs by one electron associated to the transition metal species which gives rise to the drastically different electronic properties. Therefore, it is natural to look into how the electronic structure transitions between these bulk structures by using doping. Measurements of the substitutional doped SrTi$_{\rm 1-x}$V$_{\rm x}$O$_3$ shows an metal-insulator transition (MIT) as a function of doping. By using supercell density functional theory with dynamical mean field theory (DFT+DMFT), we show that the MIT is indeed the result of the combination of local electron correlation effects (Mott physics) within the t$_{\rm 2g}$ orbitals and the atomic site configuration of the transition metals which may indicate dependence on site disorder. SrTi$_{\rm 1-x}$V$_{\rm x}$O$_3$ may be an ideal candidate for benchmarking cutting-edge Mott-Anderson models of real systems. We show that applying an effective external perturbation on SrTi$_{\rm 1-x}$V$_{\rm x}$O$_3$ can switch the system between the insulating and metallic phase, meaning this is a bulk system with the potential use in Mott electronic devices.

cond-mat.str-el

Quantum Confinement Induced Metal-Insulator Transition in Strongly Correlated Quantum Wells of SrVO$_3$ Superlattice

Dynamical mean-field theory (DMFT) has been employed in conjunction with density functional theory (DFT+DMFT) to investigate the metal-insulator transition (MIT) of strongly correlated $3d$ electrons due to quantum confinement. We shed new light on the microscopic mechanism of the MIT and previously reported anomalous subband mass enhancement, both of which arise as a direct consequence of the quantization of V $xz(yz)$ states in the SrVO$_3$ layers. We therefore show that quantum confinement can sensitively tune the strength of electron correlations, leading the way to applying such approaches in other correlated materials.

cond-mat.str-el

Correlation between crystal purity and the charge density wave in 1$T$-VSe$_2$

We examine the charge density wave (CDW) properties of 1$T$-VSe$_{2}$ crystals grown by chemical vapour transport (CVT) under varying conditions. Specifically, we find that by lowering the growth temperature ($T_{\mathrm{g}}$ $<$ 630$^{\circ}$C), there is a significant increase in both the CDW transition temperature and the residual resistance ratio (RRR) obtained from electrical transport measurements. Using x-ray photoelectron spectroscopy (XPS), we correlate the observed CDW properties with stoichiometry and the nature of defects. In addition, we have optimized a method to grow ultra-high purity 1$T$-VSe$_{2}$ crystals with a CDW transition temperature, $T_{\mathrm{CDW}}$ = (112.7 $\pm$ 0.8) K and maximum residual resistance ratio (RRR) $\approx$ 49, which is the highest reported thus far. This work highlights the sensitivity of the CDW in 1$T$-VSe$_{2}$ to defects and overall stoichiometry, and the importance of controlling the crystal growth conditions of strongly-correlated transition metal dichalcogenides.

cond-mat.str-el

Nano-engineering of electron correlation in oxide superlattices

Oxide heterostructures and superlattices have attracted a great deal of attention in recent years owing to the rich exotic properties encountered at their interfaces. We focus on the potential of tunable correlated oxides by investigating the spectral function of the prototypical correlated metal SrVO3, using soft x-ray absorption spectroscopy (XAS) and resonant inelastic soft x-ray scattering (RIXS) to access both unoccupied and occupied electronic states, respectively. We demonstrate a remarkable level of tunability in the spectral function of SrVO3 by varying its thickness within the SrVO3/SrTiO3 superlattice, showing that the effects of electron correlation can be tuned from dominating the energy spectrum in a strongly correlated Mott-Hubbard insulator, towards a correlated metal. We show that the effects of dimensionality on the correlated properties of SrVO3 are augmented by interlayer coupling, yielding a highly flexible correlated oxide that may be readily married with other oxide systems.

cond-mat.str-el

Observation of weakened V-V dimers in the monoclinic metallic phase of strained VO2

Emergent order at mesoscopic length scales in condensed matter can provide fundamental insight into the underlying competing interactions and their relationship with the order parameter. Using spectromicroscopy, we show that mesoscopic stripe order near the metal-insulator transition (MIT) of strained VO2 represent periodic modulations in both crystal symmetry and V-V dimerization. Above the MIT, we unexpectedly find the long range order of V-V dimer strength and crystal symmetry become dissociated beyond ~ 200 nm, whereas the conductivity transition proceeds homogeneously in a narrow temperature range.

cond-mat.str-el

Observation of surface states on heavily indium doped SnTe(111), a superconducting topological crystalline insulator

The topological crystalline insulator tin telluride is known to host superconductivity when doped with indium (Sn$_{1-x}$In$_{x}$Te), and for low indium contents ($x=0.04$) it is known that the topological surface states are preserved. Here we present the growth, characterization and angle resolved photoemission spectroscopy analysis of samples with much heavier In doping (up to $x\approx0.4$), a regime where the superconducting temperature is increased nearly fourfold. We demonstrate that despite strong p-type doping, Dirac-like surface states persist.

cond-mat.mes-hall

Enhanced electron correlations at the SrxCa1-xVO3 surface

We report hard x-ray photoemission spectroscopy measurements of the electronic structure of the prototypical correlated oxide SrxCa1-xVO3. By comparing spectra recorded at different excitation energies, we show that 2.2 keV photoelectrons contain a substantial surface component, whereas 4.2 keV photoelectrons originate essentially from the bulk of the sample. Bulk-sensitive measurements of the O 2p valence band are found to be in good agreement with ab initio calculations of the electronic structure, with some modest adjustments to the orbital-dependent photoionization cross sections. The evolution of the O 2p electronic structure as a function of the Sr content is dominated by A-site hybridization. Near the Fermi level, the correlated V 3d Hubbard bands are found to evolve in both binding energy and spectral weight as a function of distance from the vacuum interface, revealing higher correlation at the surface than in the bulk.

cond-mat.str-el

Low-energy V t2g orbital excitations in NdVO3

The electronic structure of NdVO3, YVO3 has been investigated as a function of sample temperature using resonant inelastic soft x-ray scattering at the V L3-edge. Most of the observed spectral features are in good agreement with an atomic crystal-field multiplet model. However, a low energy feature is observed at ~0.4 eV that cannot be explained by crystal-field arguments. The resonant behaviour of this feature establishes it as due to excitations of the V t2g states. Moreover, this feature exhibits a strong sample temperature dependence, reaching maximum intensity in the orbitally-ordered phase of NdVO3, before becoming suppressed at low temperatures. This behaviour indicates that the origin of this feature is a collective orbital excitation, i.e. the bi-orbiton.

cond-mat.str-el

Direct Observation of Decoupled Structural and Electronic Transitions and an Ambient Pressure Monoclinic-Like Metallic Phase of VO$_2$

We report the simultaneous measurement of the structural and electronic components of the metal-insulator transition of VO$_2$ using electron and photoelectron spectroscopies and microscopies. We show that these evolve over different temperature scales, and are separated by an unusual monoclinic-like metallic phase. Our results provide conclusive evidence that the new monoclinic-like metallic phase, recently identified in high-pressure and nonequilibrium measurements, is accessible in the thermodynamic transition at ambient pressure, and we discuss the implications of these observations on the nature of the MIT in VO$_2$.

cond-mat.str-el

Resonant soft x-ray emission as a bulk probe of correlated electron behavior in metallic Sr$_x$Ca$_{1-x}$VO$_3$

The evolution of electron correlation in Sr$_{x}$Ca$_{1-x}$VO$_3$ has been studied using a combination of bulk-sensitive resonant soft x-ray emission spectroscopy (RXES), surface-sensitive photoemission spectroscopy (PES), and ab initio band structure calculations. We show that the effect of electron correlation is enhanced at the surface. Strong incoherent Hubbard subbands are found to lie ~ 20% closer in energy to the coherent quasiparticle features in surface-sensitive PES measurements compared with those from bulk-sensitive RXES, and a ~ 10% narrowing of the overall bandwidth at the surface is also observed.

cond-mat.str-el

k-resolved susceptibility function of 2H-TaSe2 from angle-resolved photoemission

The connection between the Fermi surface and charge-density wave (CDW) order is revisited in 2H-TaSe2. Using angle-resolved photoemission spectroscopy, ab initio band structure calculations, and an accurate tight-binding model, we develop the empirical k-resolved susceptibility function, which we use to highlight states that contribute to the susceptibility for a particular q-vector. We show that although the Fermi surface is involved in the peaks in the susceptibility associated with CDW order, it is not through conventional Fermi surface nesting, but rather through finite energy transitions from states located far from the Fermi level. Comparison with monolayer TaSe2 illustrates the different mechanisms that are involved in the absence of bilayer splitting.

cond-mat.str-el

Electronic structure of the kagome staircase compounds Ni3V2O8 and Co3V2O8

The electronic structure of the kagome staircase compounds, Ni3V2O8 and Co3V2O8, has been investigated using soft x-ray absorption, soft x-ray emission, and resonant inelastic x-ray scattering (RIXS). Comparison between the two compounds, and with first principles band structure calculations and crystal-field multiplet models, provide unique insight into the electronic structure of the two materials. Whereas the location of the narrow (Ni,Co) d bands is predicted to be close to EF, we experimentally find they lie deeper in the occupied O 2p and unoccupied V 3d manifolds, and determine their energy via measured charge-transfer excitations. Additionally, we find evidence for a dd excitation at 1.5 eV in Ni3V2O8, suggesting the V d states may be weakly occupied in this compound, contrary to Co3V2O8. Good agreement is found between the crystal-field dd excitations observed in the experiment and predicted by atomic multiplet theory.

cond-mat.str-el

Photoemission evidence for crossover from Peierls-like to Mott-like transition in highly strained VO$_2$

We present a spectroscopic study that reveals that the metal-insulator transition of strained VO$_2$ thin films may be driven towards a purely electronic transition, which does not rely on the Peierls dimerization, by the application of mechanical strain. Comparison with a moderately strained system, which does involve the lattice, demonstrates the crossover from Peierls- to Mott-like transitions.

cond-mat.str-el

Maximum entropy deconvolution of resonant inelastic x-ray scattering spectra

Resonant inelastic x-ray scattering (RIXS) has become a powerful tool in the study of the electronic structure of condensed matter. Although the linewidths of many RIXS features are narrow, the experimental broadening can often hamper the identification of spectral features. Here, we show that the Maximum Entropy technique can successfully be applied in the deconvolution of RIXS spectra, improving the interpretation of the loss features without a severe increase in the noise ratio.

cond-mat.str-el

Strain dependence of bonding and hybridization across the metal-insulator transition of VO2

Soft x-ray spectroscopy is used to investigate the strain dependence of the metal-insulator transition of VO2. Changes in the strength of the V 3d - O 2p hybridization are observed across the transition, and are linked to the structural distortion. Furthermore, although the V-V dimerization is well-described by dynamical mean-field theory, the V-O hybridization is found to have an unexpectedly strong dependence on strain that is not predicted by band theory, emphasizing the relevance of the O ion to the physics of VO2.

cond-mat.str-el

Experimental determination of the state-dependent enhancement of the electron-positron momentum density in solids

The state-dependence of the enhancement of the electron-positron momentum density is investigated for some transition and simple metals (Cr, V, Ag and Al). Quantitative comparison with linearized muffin-tin orbital calculations of the corresponding quantity in the first Brillouin zone is shown to yield a measurement of the enhancement of the s, p and d states, independent of any parameterizations in terms of the electron density local to the positron. An empirical correction that can be applied to a first-principles state-dependent model is proposed that reproduces the measured state-dependence very well, yielding a general, predictive model for the enhancement of the momentum distribution of positron annihilation measurements, including those of angular correlation and coincidence Doppler broadening techniques.

cond-mat.str-el

Fermi surface of an important nano-sized metastable phase: Al$_3$Li

Nanoscale particles embedded in a metallic matrix are of considerable interest as a route towards identifying and tailoring material properties. We present a detailed investigation of the electronic structure, and in particular the Fermi surface, of a nanoscale phase ($L1_2$ Al$_3$Li) that has so far been inaccessible with conventional techniques, despite playing a key role in determining the favorable material properties of the alloy (Al\nobreakdash-9 at. %\nobreakdash-Li). The ordered precipitates only form within the stabilizing Al matrix and do not exist in the bulk; here, we take advantage of the strong positron affinity of Li to directly probe the Fermi surface of Al$_3$Li. Through comparison with band structure calculations, we demonstrate that the positron uniquely probes these precipitates, and present a 'tuned' Fermi surface for this elusive phase.

cond-mat.mtrl-sci

Bulk electronic structure of optimally doped Ba(Fe$_{1-x}$Co$_{x}$)$_2$As$_2$

We report high-resolution, bulk Compton scattering measurements unveiling the Fermi surface of an optimally-doped iron-arsenide superconductor, Ba(Fe$_{0.93}$Co$_{0.07}$)$_2$As$_2$. Our measurements are in agreement with first-principles calculations of the electronic structure, revealing both the $X$-centered electron pockets and the $Γ$-centered hole pockets. Moreover, our data are consistent with the strong three-dimensionality of one of these sheets that has been predicted by electronic structure calculations at the local-density-approximation-minimum As position. Complementary calculations of the noninteracting susceptibility, $χ_0({\bf q}, ω)$, suggest that the broad peak that develops due to interband Fermi-surface nesting, and which has motivated several theories of superconductivity in this class of material, survives the measured three dimensionality of the Fermi surface in this family.

cond-mat.str-el