arXiv subjects

Xin-Wei Shen

Publications and source records attributed to Xin-Wei Shen.

3 recordsLinked to original sources

arXiv2023

Lattice dynamics and ferroelectric properties of the nitride perovskite ${\mathrm{LaWN}}_{3}$

Using first-principles calculations we examine the crystal structures and phase transitions of nitride perovskite LaWN$_3$. Lattice dynamics calculations indicate that the ground-state structure belongs to space group $R3c$. Two competitive phase transition pathways are identified which are characterized by symmetry-adapted distortion modes. The results suggest that $R3c$ LaWN$_3$ should be an excellent ferroelectric semiconductor: its large spontaneous polarization of around 61 $μ$C/cm$^2$ is comparable to that of PbTiO$_3$, and its band gap is about 1.72 eV. Ferroelectricity is found to result from the \emph{B}-site instability driven by hybridization between W-5$d$ and N-2$p$ orbitals. These properties make LaWN$_3$ an attractive candidate material for use in ferroelectric memory devices and photovoltaic cells.

cond-mat.mtrl-sci↗

arXiv2019

Two-dimensional ferroelectric tunnel junction: the case of monolayer In:SnSe/SnSe/Sb:SnSe homostructure

Ferroelectric tunnel junctions, in which ferroelectric polarization and quantum tunneling are closely coupled to induce the tunneling electroresistance (TER) effect, have attracted considerable interest due to their potential in non-volatile and low-power consumption memory devices. The ferroelectric size effect, however, has hindered ferroelectric tunnel junctions from exhibiting robust TER effect. Here, our study proposes doping engineering in a two-dimensional in-plane ferroelectric semiconductor as an effective strategy to design a two-dimensional ferroelectric tunnel junction composed of homostructural $p$-type semiconductor/ferroelectric/$n$-type semiconductor. Since the in-plane polarization persists in the monolayer ferroelectric barrier, the vertical thickness of two-dimensional ferroelectric tunnel junction can be as thin as monolayer. We show that the monolayer In:SnSe/SnSe/Sb:SnSe junction provides an embodiment of this strategy. Combining density functional theory calculations with non-equilibrium Green's function formalism, we investigate the electron transport properties of In:SnSe/SnSe/Sb:SnSe and reveal a giant TER effect of 1460$\%$. The dynamical modulation of both barrier width and barrier height during the ferroelectric switching are responsible for this giant TER effect. These findings provide an important insight towards the understanding of the quantum behaviors of electrons in materials at the two-dimensional limit, and enable new possibilities for next-generation non-volatile memory devices based on flexible two-dimensional lateral ferroelectric tunnel junctions.

cond-mat.mtrl-sci↗

arXiv2017

Electrically tunable polarizer based on two-dimensional orthorhombic ferrovalley materials

The concept of ferrovalley materials has been proposed very recently. The existence of spontaneous valley polarization, resulting from ferromagnetism, in such hexagonal two-dimensional materials makes nonvolatile valleytronic applications realizable. Here, we introduce a new member of ferrovalley family with orthorhombic lattice, i.e. monolayer group-IV monochalcogenides (GIVMs), in which the intrinsic valley polarization originates from ferroelectricity, instead of ferromagnetism. Combining the group theory analysis and first-principles calculations, we demonstrate that, different from the valley-selective circular dichroism in hexagonal lattice, linearly polarized optical selectivity for valleys exists in the new type of ferrovalley materials. On account of the distinctive property, a prototype of electrically tunable polarizer is realized. In the ferrovalley-based polarizer, a laser beam can be optionally polarized in x- or y-direction, depending on the ferrovalley state controlled by external electric fields. Such a device can be further optimized to emit circularly polarized radiation with specific chirality and to realize the tunability for operating wavelength. Therefore, we show that two-dimensional orthorhombic ferrovalley materials are the promising candidates to provide an advantageous platform to realize the polarizer driven by electric means, which is of great importance in extending the practical applications of valleytronics.

cond-mat.mtrl-sci↗