arXiv subjects

Yee-Sin Ang

Publications and source records attributed to Yee-Sin Ang.

6 recordsLinked to original sources

arXiv2022

Switching Rashba spin-splitting by reversing electric-field direction

The manipulation of the Rashba spin-splitting is crucial for the development of nanospintronic technology. Here, it is proposed that the Rashba spin-splitting can be turned on and off by reversing electric-field direction. By the first-principle calculations, our proposal is illustrated by a concrete example of Janus monolayer RbKNaBi. The designed RbKNaBi possesses dynamical, thermal and mechanical stability, and is a large-gap quantum spin Hall insulator (QSHI) with Rashba spin-splitting near the Fermi level. A small built-in electric field is predicted due to very small electronegativity difference between the bottom and top atoms, which is very key to switch Rashba spin-splitting through the experimentally available electric field intensity. Due to out-of-plane structural asymmetry, the Janus monolayer has distinctive behaviors by applying external electric field $E$ with the same magnitude but different directions ($z$ or $-z$). Our results reveal that the Rashba energy ($E_R$) and Rashba constant ($\alpha_R$) are increased by the positive $E$, while a negative $E$ suppresses the Rashba splitting to disappear, and then appears again. In a certain $E$ region (0.15 $\mathrm{V/\AA}$ to 0.25 $\mathrm{V/\AA}$), switching Rashba spin-splitting can be achieved by only reversing electric-field direction. Besides, the piezoelectric strain coefficients $d_{11}$ and $d_{31}$ (5.52 pm/V and -0.41 pm/V) are predicted, which are higher than or compared with those of many 2D materials. By piezoelectric effect, the strain can also be used to tune Rashba spin-splitting of RbKNaBi. Moreover, a possible spintronic device is proposed to realize the function of spintronic switch.

cond-mat.mtrl-sci↗

arXiv2022

Electric-field induced magnetic-anisotropy transformation to achieve spontaneous valley polarization

Valleytronics has been widely investigated for providing new degrees of freedom to future information coding and processing. Here, it is proposed that valley polarization can be achieved by electric field induced magnetic anisotropy (MA) transformation. Through the first-principle calculations, our idea is illustrated by a concrete example of $\mathrm{VSi_2P_4}$ monolayer. The increasing electric field can induce a transition of MA from in-plane to out-of-plane by changing magnetic anisotropy energy (MAE) from negative to positive value, which is mainly due to increasing magnetocrystalline anisotropy (MCA) energy. The out-of-plane magnetization is in favour of spontaneous valley polarization in $\mathrm{VSi_2P_4}$. Within considered electric field range, $\mathrm{VSi_2P_4}$ is always ferromagnetic (FM) ground state. In a certain range of electric field, the coexistence of semiconductor and out-of-plane magnetization makes $\mathrm{VSi_2P_4}$ become a true ferrovalley (FV) material. The anomalous valley Hall effect (AVHE) can be observed under in-plane and out-of-plane electrical field in $\mathrm{VSi_2P_4}$. Our works pave the way to design the ferrovalley material by electric field.

cond-mat.mtrl-sci↗

arXiv2022

Importance of magnetic shape anisotropy in determining magnetic and electronic properties of monolayer $\mathrm{VSi_2P_4}$

Two-dimensional (2D) ferromagnets have been a fascinating subject of research, and magnetic anisotropy (MA) is indispensable for stabilizing the 2D magnetic order. Here, we investigate magnetic anisotropy energy (MAE), magnetic and electronic properties of $\mathrm{VSi_2P_4}$ by using the generalized gradient approximation plus $U$ (GGA+$U$) approach. For large $U$, the magnetic shape anisotropy (MSA) energy has a more pronounced contribution to the MAE, which can overcome the magnetocrystalline anisotropy (MCA) energy to evince an easy-plane. For fixed out-of-plane MA, monolayer $\mathrm{VSi_2P_4}$ undergoes ferrovalley (FV), half-valley-metal (HVM), valley-polarized quantum anomalous Hall insulator (VQAHI), HVM and FV states with increasing $U$. However, for assumptive in-plane MA, there is no special quantum anomalous Hall (QAH) state and spontaneous valley polarization within considered $U$ range. According to the MAE and electronic structure with fixed out-of-plane or in-plane MA, the intrinsic phase diagram shows common magnetic semiconductor (CMS), FV and VQAHI in monolayer $\mathrm{VSi_2P_4}$. At representative $U$$=$3 eV widely used in references, $\mathrm{VSi_2P_4}$ can be regarded as a 2D-$XY$ magnet, not Ising-like 2D long-range order magnets predicted in previous works with only considering MCA energy. Our findings shed light on importance of MSA in determining magnetic and electronic properties of monolayer $\mathrm{VSi_2P_4}$.

cond-mat.mtrl-sci↗

arXiv2022

Out-of-plane high-temperature ferromagnetic monolayer CrSCl with large vertical piezoelectric response

For two-dimensional (2D) material, piezoelectric ferromagnetism (PFM) with large out-of-plane piezoresponse is highly desirable for multifunctional ultrathin piezoelectric device application. Here, we predict that Janus monolayer CrSCl is an out-of-plane ferromagnetic (FM) semiconductor with large vertical piezoelectric response and high Curie temperature. The predicted out-of-plane piezoelectric strain coefficient $d_{31}$ is -1.58 pm/V, which is higher than ones of most 2D materials (compare absolute values of $d_{31}$). The large out-of-plane piezoelectricity is robust against electronic correlation and biaxial strain, confirming reliability of large $d_{31}$. Calculated results show that tensile strain is conducive to high Curie temperature, large magnetic anisotropy energy (MAE) and large $d_{31}$. Finally, by comparing $d_{31}$ of CrYX (Y=S; X=Cl, Br I) and CrYX (Y=O; X=F, Cl, Br), we conclude that the size of $d_{31}$ is positively related to electronegativity difference of X and Y atoms. Such findings can provide valuable guidelines for designing 2D piezoelectric materials with large vertical piezoelectric response.

cond-mat.mtrl-sci↗

arXiv2022

Strain effects on topological and valley properties of Janus monolayer $\mathrm{VSiGeN_4}$

Strain is an effective method to tune the electronic properties of two-dimension (2D) materials, and can induce novel phase transition. Recently, 2D $\mathrm{MA_2Z_4}$ family materials are of interest because of their emerging topological, magnetic and superconducting properties. Here, we investigate the impact of strain effects ($a/a_0$:0.96$\sim$1.04) on the physical properties of Janus monolayer $\mathrm{VSiGeN_4}$ as a derivative of $\mathrm{VSi_2N_4}$ or $\mathrm{VGe_2N_4}$, which possesses dynamical, mechanical and thermal stabilities. For out-of-plane magnetic anisotropy, with increasing strain, $\mathrm{VSiGeN_4}$ undergoes transition between ferrovalley semiconductor (FVS), half-valley-metal (HVM), valley-polarized quantum anomalous Hall insulator (VQAHI), HVM and FVS. These imply twice topological phase transitions, which are related with sign-reversible Berry curvature and band inversion between $d_{xy}$+$d_{x^2-y^2}$ and $d_{z^2}$ orbitals for K or -K valley. The band inversion also leads to transformation of valley splitting strength between valence and conduction bands. However, for in-plane magnetic anisotropy, no special quantum anomalous Hall (QAH) states and valley polarization exist within the considered strain range. The actual magnetic anisotropy energy (MAE) shows no special QAH and HVM states in monolayer $\mathrm{VSiGeN_4}$. Fortunately, these can be easily achieved by external magnetic field, which adjusts the easy magnetization axis of $\mathrm{VSiGeN_4}$ from in-plane one to out-of-plane one. Our findings shed light on how strain can be employed to engineer the electronic states of $\mathrm{VSiGeN_4}$, which may open new perspectives for multifunctional quantum devices in valleytronics and spintronics.

cond-mat.mtrl-sci↗

arXiv2022

Huge out-of-plane piezoelectric response in ferromagnetic monolayer NiClI

The combination of piezoelectricity and ferromagnetic (FM) order in a two-dimensional (2D) material, namely 2D piezoelectric ferromagnetism (PFM), may open up unprecedented opportunities for novel device applications. Here, we predict an in-plane FM semiconductor Janus monolayer NiClI with considerably large magnetic anisotropy energy (MAE) of 1.439 meV, exhibiting dynamic, mechanical and thermal stabilities. The NiClI monolayer possesses larger in-plane piezoelectricity ($d_{11}$$=$5.21 pm/V) comparable to that of $\mathrm{MoS_2}$. Furthermore, NiClI has huge out-of-plane piezoelectricity ($d_{31}$$=$1.89 pm/V), which is highly desirable for ultrathin piezoelectric device application. It is proved that huge out-of-plane piezoelectricity is robust against electronic correlation, which confirms reliability of huge $d_{31}$. Finally, being analogous to NiClI, PFM with large out-of-plane piezoelectricity can also be achieved in the Janus monolayers of NiClBr and NiBrI, with the predicted $d_{31}$ of 0.73 pm/V and 1.15 pm/V, respectively. The predicted huge out-of-plane piezoelectric response makes Janus monolayer NiClI a good platform for multifunctional semiconductor spintronic applications, which is also compatible with the bottom/top gate technologies of conventional semiconductor nanoelectronic devices.

cond-mat.mtrl-sci↗