arXiv subjects

Kui-juan Jin

Publications and source records attributed to Kui-juan Jin.

27 records · Page 2Linked to original sources

arXiv2020

Strain-mediated high conductivity in ultrathin antiferromagnetic metallic nitrides

Strain engineering provides the ability to control the ground states and associated phase transition in the epitaxial films. However, the systematic study of intrinsic characters and their strain dependency in transition-metal nitrides remains challenging due to the difficulty in fabricating the stoichiometric and high-quality films. Here we report the observation of electronic state transition in highly crystalline antiferromagnetic CrN films with strain and reduced dimensionality. Shrinking the film thickness to a critical value of ~ 30 unit cells, a profound conductivity reduction accompanied by unexpected volume expansion is observed in CrN films. The electrical conductivity is observed surprisingly when the CrN layer as thin as single unit cell thick, which is far below the critical thickness of most metallic films. We found that the metallicity of an ultrathin CrN film recovers from an insulating behavior upon the removal of as-grown strain by fabrication of first-ever freestanding nitride films. Both first-principles calculations and linear dichroism measurements reveal that the strain-mediated orbital splitting effectively customizes the relatively small bandgap at the Fermi level, leading to exotic phase transition in CrN. The ability to achieve highly conductive nitride ultrathin films by harness strain-controlling over competing phases can be used for utilizing their exceptional characteristics.

cond-mat.mtrl-sci↗

arXiv2017

Coexistence of polar distortion and metallicity in PbTi1-xNbxO3

Ferroelectricity has been believed unable to coexist with metallicity since the free carriers can screen the internal coulomb interactions of dipoles. Very recently, one kind of materials called as ferroelectric metal was reexamined. Here, we report the coexistence of metallicity and polar distortion in a new candidate for ferroelectric metal PbTi1-xNbxO3 via doping engineering. The ferroelectric-like polar distortion in all the doped PbTi1-xNbxO3, with x ranging from 0.04 to 0.12, was confirmed by the piezoresponse force microscopy and the scanning transmission electron microscopy measurements. PbTi1-xNbxO3 films become more conductive with more doping density, and emerge a metallic behavior when x reaches 0.12. Our first principle calculations further revealed that the doped Nb ions in the films can only provide free electrons, but not be able to damage the dipoles in unite cells even with the heaviest doping density of 0.12 due to their little impact on the off-centering of the Ti ions. We believe that these results confirm a feasibility of realizing the coexistence of metallicity and polar distortion for other ferroelectrics in a common way, and motivate the synthesis of some new materials with artificially designed properties even incompatible in nature.

cond-mat.mtrl-sci↗

arXiv2016

Persisting of Polar Distortion with Electron Doping in Lone-Pair Driven Ferroelectrics

Free electrons can screen out long-range Coulomb interaction and destroy the polar distortion in some ferroelectric materials, whereas the coexistence of polar distortion and metallicity were found in several non-central-symmetric metals (NCSMs). Therefore, the mechanisms and designing of NCSMs have attracted great interests. In this work, by first-principles calculation, we found the polar distortion in the lone-pair driven ferroelectric material PbTiO$_3$ can not only persist, but also increase with electron doping. We further analyzed the mechanisms of the persisting of the polar distortion. We found that the Ti site polar instability is suppressed but the Pb site polar instability is intact with the electron doping. The Pb-site instability is due to the lone-pair mechanism which can be viewed as a pseudo-Jahn-Teller effect, a mix of the ground state and the excited state by ion displacement from the central symmetric position. The lone-pair mechanism is not strongly affected by the electron doping because neither the ground state or the excited state involved is at the Fermi energy. The enhancement of the polar distortion is related to the increasing of the Ti ion size by doping. These results show the lone-pair stereoactive ions can be used in designing NCSMs.

cond-mat.mtrl-sci↗

arXiv2016

Insulating phase at low temperature in ultrathin La0.8Sr0.2MnO3 films

Metal-insulator transition is observed in the La0.8Sr0.2MnO3 thin films with thickness larger than 5 unit cells. Insulating phase at lower temperature appeared in the ultrathin films with thickness ranging from 6 unit cells to 10 unit cells and it is found that the Mott variable range hopping conduction dominates in this insulating phase at low temperature with a decrease of localization length in thinner films. A deficiency of oxygen content and a resulted decrease of the Mn valence have been observed in the ultrathin films with thickness smaller than or equal to 10 unit cells by studying the aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy of the films. These results suggest that the existence of the oxygen vacancies in thinner films suppresses the double-exchange mechanism and contributes to the enhancement of disorder, leading to a decrease of the Curie temperature and the low temperature insulating phase in the ultrathin films. In addition, the suppression of the magnetic properties in thinner films indicates stronger disorder of magnetic moments, which is considered to be the reason for this decrease of the localization length.

cond-mat.mtrl-sci↗

arXiv2016

Engineering charge ordering into multiferroicity

Multiferroic materials have attracted great interests but are rare in nature. In many transitional metal oxides, charge ordering and magnetic ordering coexist, so that a method of engineering charge-ordered materials into ferroelectric materials would lead to a large class of multiferroic materials. We propose a strategy for designing new ferroelectric or even multiferroic materials by inserting a spacing layer into each two layers of charge-ordered materials and artificially making a superlattice. One example of the model demonstrated here is the perovskite (LaFeO$_3$)$_2$/LaTiO$_3$ (111) superlattice, in which the LaTiO$_3$ layer acts as the donor and the spacing layer, and the LaFeO$_3$ layer is half doped and performs charge ordering. The collaboration of the charge ordering and the spacing layer breaks the space inversion symmetry, resulting in a large ferroelectric polarization. As the charge ordering also leads to a ferrimagnetic structure, the (LaFeO$_3$)$_2$/LaTiO$_3$ is multiferroic. It is expected that this work can encourage the designing and experimentally implementation of a large class of multiferroic structures with novel properties.

cond-mat.mtrl-sci↗

arXiv2016

Evolution of the electronic and lattice structure with carrier injection in BiFeO$_3$

We report a density functional study on the evolution of the electronic and lattice structure in BiFeO$_3$ with injected electrons and holes. First, the self-trapping of electrons and holes were investigated. We found that the injected electrons tend to be localized on Fe sites due to the local lattice expansion, the on-site Coulomb interaction of Fe $3d$ electrons, and the antiferromagnetic order in BiFeO$_3$. The injected holes tend to be delocalized if the on-site Coulomb interaction of O $2p$ is weak (in other words, $U_\mathrm{O}$ is small). Single center polarons and multi-center polarons are formed with large and intermediate $U_\mathrm{O}$, respectively. With intermediate $U_\mathrm{O}$, multi-center polarons can be formed. We also studied the lattice distortion with the injection of carriers by assuming the delocalization of these carriers. We found that the ferroelectric off-centering of BiFeO$_3$ increases with the concentration of the electrons injected and decreases with that of the holes injected. It was also found that a structural phase transition from $R3c$ to the non-ferroelectric $Pbnm$ occurs, with the hole concentration over 8.7$\times10^{19} cm^{-3}$. The change of the off-centering is mainly due to the change of the lattice volume. The understanding of the carrier localization mechanism can help to optimize the functionality of ferroelectric diodes and the ferroelectric photovoltage devices, while the understanding of the evolution of the lattice with carriers can help tuning the ferroelectric properties by the carriers in BiFeO$_3$.

cond-mat.mtrl-sci↗

arXiv2016

Oxygen vacancy induced room temperature metal-insulator transition in nickelates films and its potential application in photovoltaics

Oxygen vacancy is intrinsically coupled with magnetic, electronic and transport properties of transition-metal oxide materials and directly determines their multifunctionality. Here, we demonstrate reversible control of oxygen content by post-annealing at temperature lower than 300 degree centigrade and realize the reversible metal-insulator transition in epitaxial NdNiO3 films. Importantly, over six orders of magnitude in the resistance modulation and a large change in optical band gap are demonstrated at room temperature without destroying the parent framework and changing the p-type conductive mechanism. Further study revealed that oxygen vacancies stabilized the insulating phase at room temperature is universal for perovskite nickelates films. Acting as electron donors, oxygen vacancies not only stabilize the insulating phase at room temperature, but also induce a large magnetization of ~50 emu/cm3 due to the formation of strongly correlated Ni2+ t2g6eg2 states. The band gap opening is an order of magnitude larger than that of the thermally driven metal-insulator transition and continuously tunable. Potential application of the newly found insulating phase in photovoltaics has been demonstrated in the nickelates-based heterojunctions. Our discovery opens up new possibilities for strongly correlated perovskite nickelates.

cond-mat.str-el↗

arXiv2015

Ferroelectric Control of Metal-Insulator Transition

We propose a method of controlling the metal-insulator transition of one perovskite material at its interface with a another ferroelectric material based on first principle calculations. The operating principle is that the rotation of oxygen octahedra tuned by the ferroelectric polarization can modulate the superexchange interaction in this perovskite. We designed a tri-color superlattice of (BiFeO$_3$)$_N$/LaNiO$_3$/LaTiO$_3$, in which the BiFeO$_3$ layers are ferroelectric, the LaNiO$_3$ layer is the layer of which the electronic structure is to be tuned, and LaTiO$_3$ layer is inserted to enhance the inversion asymmetry. By reversing the ferroelectric polarization in this structure, there is a metal-insulator transition of the LaNiO$_3$ layer because of the changes of crystal field splitting of the Ni $e_g$ orbitals and the bandwidth of the Ni in-plane $e_g$ orbital. It is highly expected that a metal-transition can be realized by designing the structures at the interfaces for more materials.

cond-mat.mtrl-sci↗

arXiv2007

Strong terahertz emission from superlattices via Zener tunneling

We develop a comprehensive, elegant theory to explain terahertz (THz) emission from a superlattice over a wide range of applied electric field,which shows excellent agreement between theory andexperiment for a GaAs/Al{0.3}Ga{0.7As superlattice. Specifically we show that increasing electric field increases THz emission for low fields, then reduces emission for medium fields due to field-induced wave function localization, and then increases emission in the high field due to delocalization and Zener tunneling between minibands. Our theory shows that Zener tunneling resonances yield high THz emission intensities and points to superlattice design improvements.

cond-mat.mes-hall↗