Proposal for valleytronic materials: Ferrovalley metal and valley gapless semiconductor

doi:10.1007/s11467-023-1334-y

Frontiers of Physics

2024, Vol. 19

Issue (2): 23302 https://doi.org/10.1007/s11467-023-1334-y

本期目录

Proposal for valleytronic materials: Ferrovalley metal and valley gapless semiconductor

San-Dong Guo¹(

), Yu-Ling Tao¹, Guangzhao Wang², Shaobo Chen³, Dong Huang¹, Yee Sin Ang⁴

¹. School of Electronic Engineering, Xi’an University of Posts and Telecommunications, Xi’an 710121, China
². Key Laboratory of Extraordinary Bond Engineering and Advanced Materials Technology of Chongqing, School of Electronic Information Engineering, Yangtze Normal University, Chongqing 408100, China
³. College of Electronic and Information Engineering, Anshun University, Anshun 561000, China
⁴. Science, Mathematics and Technology (SMT), Singapore University of Technology and Design (SUTD), 8 Somapah Road, Singapore 487372, Singapore

全文: PDF(5277 KB) HTML

Abstract：

Valleytronic materials can provide new degrees of freedom to future electronic devices. In this work, the concepts of the ferrovalley metal (FVM) and valley gapless semiconductor (VGS) are proposed, which can be achieved in valleytronic bilayer systems by electric field engineering. In valleytronic bilayer systems, the interaction between out-of-plane ferroelectricity and A-type antiferromagnetism can induce layer-polarized anomalous valley Hall (LP-AVH) effect. The K and −K valleys of FVM are both metallic, and electron and hole carriers simultaneously exist. In the extreme case, the FVM can become VGS by analogizing spin gapless semiconductor (SGS). Moreover, it is proposed that the valley splitting enhancement and valley polarization reversal can be achieved by electric field engineering in valleytronic bilayer systems. Taking the bilayer $R u B r 2$ as an example, our proposal is confirmed by the first-principle calculations. The FVM and VGS can be achieved in bilayer $R u B r 2$ by applying electric field. With appropriate electric field range, increasing electric field can enhance valley splitting, and the valley polarization can be reversed by flipping electric field direction. To effectively tune valley properties by electric field in bilayer systems, the parent monolayer should possess out-of-plane magnetization, and have large valley splitting. Our results shed light on the possible role of electric field in tuning valleytronic bilayer systems, and provide a way to design the ferrovalley-related material by electric field.

Key words： valleytronics electric field bilayer

收稿日期: 2023-05-20 出版日期: 2023-09-13

Corresponding Author(s): San-Dong Guo

引用本文:

. [J]. Frontiers of Physics, 2024, 19(2): 23302.
San-Dong Guo, Yu-Ling Tao, Guangzhao Wang, Shaobo Chen, Dong Huang, Yee Sin Ang. Proposal for valleytronic materials: Ferrovalley metal and valley gapless semiconductor. Front. Phys. , 2024, 19(2): 23302.

链接本文:

https://academic.hep.com.cn/fop/CN/10.1007/s11467-023-1334-y
https://academic.hep.com.cn/fop/CN/Y2024/V19/I2/23302

Fig.1

Fig.2

Fig.3

Fig.4

Fig.5

Fig.6

Fig.7

Fig.8

Fig.9

Fig.10

1	Xu X., Yao W., Xiao D., F. Heinz T.. Spin and pseudospins in layered transition metal dichalcogenides. Nat. Phys., 2014, 10(5): 343 https://doi.org/10.1038/nphys2942
2	Liu Y., S. Lian C., Li Y., Xu Y., Duan W.. Pseudospins and topological effects of phonons in a Kekulé lattice. Phys. Rev. Lett., 2017, 119(25): 255901 https://doi.org/10.1103/PhysRevLett.119.255901
3	Zeng M., Xiao Y., Liu J., Yang K., Fu L.. Exploring two-dimensional materials toward the next-generation circuits: from monomer design to assembly control. Chem. Rev., 2018, 118(13): 6236 https://doi.org/10.1021/acs.chemrev.7b00633
4	F. Mak K., He K., Shan J., F. Heinz T.. Control of valley polarization in monolayer MoS2 by optical helicity. Nat. Nanotechnol., 2012, 7(8): 494 https://doi.org/10.1038/nnano.2012.96
5	MacNeill D., Heikes C., F. Mak K., Anderson Z., Kormányos A., Zólyomi V., Park J., C. Ralph D.. Breaking of valley degeneracy by magnetic field in monolayer MoSe2. Phys. Rev. Lett., 2015, 114(3): 037401 https://doi.org/10.1103/PhysRevLett.114.037401
6	Zeng H., Dai J., Yao W., Xiao D., Cui X.. Valley polarization in MoS2 monolayers by optical pumping. Nat. Nanotechnol., 2012, 7: 490 https://doi.org/10.1038/nnano.2012.95
7	Srivastava A., Sidler M., V. Allain A., S. Lembke D., Kis A., Imamoglu A.. Valley Zeeman effect in elementary optical excitations of monolayer WSe2. Nat. Phys., 2015, 11(2): 141 https://doi.org/10.1038/nphys3203
8	Zhao C., Norden T., Zhang P., Zhao P., Cheng Y., Sun F., P. Parry J., Taheri P., Wang J., Yang Y., Scrace T., Kang K., Yang S., Miao G., Sabirianov R., Kioseoglou G., Huang W., Petrou A., Zeng H.. Enhanced valley splitting in monolayer WSe2 due to magnetic exchange field. Nat. Nanotechnol., 2017, 12(8): 757 https://doi.org/10.1038/nnano.2017.68
9	Zeng H., Dai J., Yao W., Xiao D., Cui X.. Valley polarization in MoS2 monolayers by optical pumping. Nat. Nanotechnol., 2012, 7(8): 490 https://doi.org/10.1038/nnano.2012.95
10	R. Schaibley J., Yu H., Clark G., Rivera P., S. Ross J., L. Seyler K., Yao W., Xu X.. Valleytronics in 2D materials. Nat. Rev. Mater., 2016, 1(11): 16055 https://doi.org/10.1038/natrevmats.2016.55
11	S. Mrudul M., Jiménez-Galán Á., Ivanov M., Dixit G.. Light-induced valleytronics in pristine graphene. Optica, 2021, 8(3): 422 https://doi.org/10.1364/OPTICA.418152
12	S. Mrudul M., Dixit G.. Controlling valley-polarisation in graphene via tailored light pulses. J. Phys. At. Mol. Opt. Phys., 2021, 54(22): 224001 https://doi.org/10.1088/1361-6455/ac41ae
13	Y. Tong W., J. Gong S., Wan X., G. Duan C.. Concepts of ferrovalley material and anomalous valley Hall effect. Nat. Commun., 2016, 7(1): 13612 https://doi.org/10.1038/ncomms13612
14	Hu H., Y. Tong W., H. Shen Y., Wan X., G. Duan C.. Concepts of the half-valley-metal and quantum anomalous valley Hall effect. npj Comput. Mater., 2020, 6: 129 https://doi.org/10.1038/s41524-020-00397-1
15	D. Guo S., X. Zhu J., Q. Mu W., G. Liu B.. Possible way to achieve anomalous valley Hall effect by piezoelectric effect in a GdCl2 monolayer. Phys. Rev. B, 2021, 104(22): 224428 https://doi.org/10.1103/PhysRevB.104.224428
16	Y. Feng X., L. Xu X., L. He Z., Peng R., Dai Y., B. Huang B., D. Ma Y.. Valley-related multiple Hall effect in monolayer VSi2P4. Phys. Rev. B, 2021, 104(7): 075421 https://doi.org/10.1103/PhysRevB.104.075421
17	R. Cui Q., M. Zhu Y., H. Liang J., Cui P., X. Yang H.. Spin-valley coupling in a two-dimensional VSi2N4 monolayer. Phys. Rev. B, 2021, 103(8): 085421 https://doi.org/10.1103/PhysRevB.103.085421
18	Zhou X., Zhang R., Zhang Z., Feng W., Mokrousov Y., Yao Y.. Sign-reversible valley-dependent Berry phase effects in 2D valley-half-semiconductors. npj Comput. Mater., 2021, 7: 160 https://doi.org/10.1038/s41524-021-00632-3
19	Khan I., Marfoua B., Hong J.. Electric field induced giant valley polarization in two dimensional ferromagnetic WSe2/CrSnSe3 heterostructure. npj 2D Mater. Appl., 2021, 5: 10 https://doi.org/10.1038/s41699-020-00195-9
20	X. Cheng H., Zhou J., Ji W., N. Zhang Y., P. Feng Y.. Two-dimensional intrinsic ferrovalley GdI2 with large valley polarization. Phys. Rev. B, 2021, 103(12): 125121 https://doi.org/10.1103/PhysRevB.103.125121
21	Li R., W. Jiang J., B. Mi W., L. Bai H.. Room temperature spontaneous valley polarization in two-dimensional FeClBr monolayer. Nanoscale, 2021, 13(35): 14807 https://doi.org/10.1039/D1NR04063D
22	Sheng K., Chen Q., K. Yuan H., Y. Wang Z.. Monolayer CeI2: An intrinsic room-temperature ferrovalley semiconductor. Phys. Rev. B, 2022, 105(7): 075304 https://doi.org/10.1103/PhysRevB.105.075304
23	Jiang P., L. Kang L., L. Li Y., H. Zheng X., Zeng Z., Sanvito S.. Prediction of the two-dimensional Janus ferrovalley material LaBrI. Phys. Rev. B, 2021, 104(3): 035430 https://doi.org/10.1103/PhysRevB.104.035430
24	Peng R., Ma Y., Xu X., He Z., Huang B., Dai Y.. Intrinsic anomalous valley Hall effect in single-layer Nb3I8. Phys. Rev. B, 2020, 102(3): 035412 https://doi.org/10.1103/PhysRevB.102.035412
25	Sheng K., K. Zhang B., K. Yuan H., Y. Wang Z.. Strain-engineered topological phase transitions in ferrovalley 2H−RuCl2 monolayer. Phys. Rev. B, 2022, 105(19): 195312 https://doi.org/10.1103/PhysRevB.105.195312
26	D. Guo S., X. Zhu J., Y. Yin M., G. Liu B.. Substantial electronic correlation effects on the electronic properties in a Janus FeClF monolayer. Phys. Rev. B, 2022, 105(10): 104416 https://doi.org/10.1103/PhysRevB.105.104416
27	D. Guo S., Q. Mu W., G. Liu B.. Valley-polarized quantum anomalous Hall insulator in monolayer RuBr2. 2D Mater., 2022, 9: 035011 https://doi.org/10.1088/2053-1583/ac687f
28	Huan H., Xue Y., Zhao B., Y. Gao G., R. Bao H., Q. Yang Z.. Strain-induced half-valley metals and topological phase transitions in MBr2 monolayers (M = Ru, Os). Phys. Rev. B, 2021, 104(16): 165427 https://doi.org/10.1103/PhysRevB.104.165427
29	D. Guo S., L. Tao Y., Q. Mu W., G. Liu B.. Correlation-driven threefold topological phase transition in monolayer OsBr2. Front. Phys., 2023, 18(3): 33304 https://doi.org/10.1007/s11467-022-1243-5
30	D. Guo S., L. Tao Y., T. Guo H., Y. Zhao Z., Wang B., Z. Wang G., T. Wang X.. Possible electronic state quasi-half-valley metal in a VGe2P4 monolayer. Phys. Rev. B, 2023, 107(5): 054414 https://doi.org/10.1103/PhysRevB.107.054414
31	L. Wang X.. Proposal for a new class of materials: Spin gapless semiconductors. Phys. Rev. Lett., 2008, 100(15): 156404 https://doi.org/10.1103/PhysRevLett.100.156404
32	Zhang T., L. Xu X., B. Huang B., Dai Y., Z. Kou L., D. Ma Y.. Layer-polarized anomalous Hall effects in valleytronic van der Waals bilayers. Mater. Horiz., 2023, 10(2): 483 https://doi.org/10.1039/D2MH00906D
33	Liu X., P. Pyatakov A., Ren W.. Magnetoelectric coupling in multiferroic bilayer VS2. Phys. Rev. Lett., 2020, 125(24): 247601 https://doi.org/10.1103/PhysRevLett.125.247601
34	O. Fumega A., L. Lado J.. Ferroelectric valley valves with graphene/MoTe2 van der Waals heterostructures. Nanoscale, 2023, 15(5): 2181 https://doi.org/10.1039/D2NR05185K
35	Y. Tong W., G. Duan C.. Electrical control of the anomalous valley Hall effect in antiferrovalley bilayers. npj Quantum Mater., 2017, 2: 47 https://doi.org/10.1038/s41535-017-0051-6
36	Hohenberg P., Kohn W.. Inhomogeneous electron gas. Phys. Rev., 1964, 136(3B): B864 https://doi.org/10.1103/PhysRev.136.B864
37	Kohn W., J. Sham L.. Self-consistent equations including exchange and correlation effects. Phys. Rev., 1965, 140(4A): A1133 https://doi.org/10.1103/PhysRev.140.A1133
38	Kresse G., Ab initio molecular dynamics for liquid metals, J. Non-Cryst. Solids 193, 222 (1995)
39	Kresse G., Furthmüller J.. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci., 1996, 6(1): 15 https://doi.org/10.1016/0927-0256(96)00008-0
40	Kresse G., Joubert D.. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B, 1999, 59(3): 1758 https://doi.org/10.1103/PhysRevB.59.1758
41	P. Perdew J., Burke K., Ernzerhof M.. Generalized gradient approximation made simple. Phys. Rev. Lett., 1996, 77(18): 3865 https://doi.org/10.1103/PhysRevLett.77.3865
42	Cococcioni M., de Gironcoli S.. Linear response approach to the calculation of the effective interaction parameters in the LDA + U method. Phys. Rev. B, 2005, 71(3): 035105 https://doi.org/10.1103/PhysRevB.71.035105
43	See Supplemental Material for calculating U; crystal structures; energy diﬀerence between FM and AFM and MAE as a function of E; the related energy band structures.
44	L. Dudarev S., A. Botton G., Y. Savrasov S., J. Humphreys C., P. Sutton A.. Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study. Phys. Rev. B, 1998, 57(3): 1505 https://doi.org/10.1103/PhysRevB.57.1505
45	Grimme S., Ehrlich S., Goerigk L.. Effect of the damping function in dispersion corrected density functional theory. J. Comput. Chem., 2011, 32(7): 1456 https://doi.org/10.1002/jcc.21759
46	Fukui T., Hatsugai Y., Suzuki H.. Chern numbers in discretized Brillouin zone: Efficient method of computing (spin) Hall conductances. J. Phys. Soc. Jpn., 2005, 74(6): 1674 https://doi.org/10.1143/JPSJ.74.1674
47	J. Kim H., (2018)
48	J. Kim H.Li C.Feng J.H. Cho J.Zhang Z., Competing magnetic orderings and tunable topological states in two-dimensional hexagonal organometallic lattices, Phys. Rev. B 93, 041404(R) (2016)
49	To easily meet energy convergence criterion, the parameter DIPOL=0.5 0.5 0.5 is set, and the convergent charge density under small electric field gradually feeds to the calculations with large electric field.
50	Zhao P., Dai Y., Wang H., B. Huang B., D. Ma Y.. Intrinsic valley polarization and anomalous valley hall effect in single-layer 2H-FeCl2. Chem. Phys. Mater., 2022, 1(1): 56 https://doi.org/10.1016/j.chphma.2021.09.006
51	Li R., W. Jiang J., B. Mi W., L. Bai H.. Room temperature spontaneous valley polarization in two-dimensional FeClBr monolayer. Nanoscale, 2021, 13(35): 14807 https://doi.org/10.1039/D1NR04063D
52	Xiao D., C. Chang M., Niu Q.. Berry phase effects on electronic properties. Rev. Mod. Phys., 2010, 82(3): 1959 https://doi.org/10.1103/RevModPhys.82.1959
53	I. Weintrub B., L. Hsieh Y., Kovalchuk S., N. Kirchhof J., Greben K., I. Bolotin K.. Generating intense electric fields in 2D materials by dual ionic gating. Nat. Commun., 2022, 13(1): 6601 https://doi.org/10.1038/s41467-022-34158-z

[1]

fop-21334-of-guosandong_suppl_1

Download

Viewed

Full text

Abstract

Cited

Shared

Discussed