On the electronic and spin-valley coupling of vanadium doped MoS2(1-x)Se2 xmonolayers

Dipak Maity; Rahul Sharma; Krishna Rani Sahoo; Janmey Jay Panda; Ashique Lal; Anand B Puthirath; Pulickel M Ajayan; Tharangattu N Narayanan

doi:10.1088/1361-648X/acf9d5

On the electronic and spin-valley coupling of vanadium doped MoS_2(1-_x₎Se_{2 x}monolayers

J Phys Condens Matter. 2023 Sep 22;35(50). doi: 10.1088/1361-648X/acf9d5.

Authors

Dipak Maity¹, Rahul Sharma¹, Krishna Rani Sahoo¹, Janmey Jay Panda¹, Ashique Lal¹, Anand B Puthirath², Pulickel M Ajayan², Tharangattu N Narayanan¹

Affiliations

¹ Tata Institute of Fundamental Research-Hyderabad, Serilingampally Mandal, Hyderabad 500046, India.
² Department of Mechanical Engineering and Materials Science, Rice University, Houston, TX 77005, United States of America.

PMID: 37708898
DOI: 10.1088/1361-648X/acf9d5

Abstract

Monolayers of MoS₂with tunable bandgap and valley positions are highly demanding for their applications in opto-spintronics. Herein, selenium (Se) and vanadium (V) co-doped MoS₂monolayers (vanadium doped MoS_2(1-x)Se_2x(V-MoSSe)) are developed and showed their variations in the electronic and optical properties with dopant content. Vanadium gets substitutionally (in place of Mo) doped within the MoS₂lattice while selenium doped in place of sulfur, as shown by a detailed microstructure and spectroscopy analyses. The bandgap tunability with selenium doping can be achieved while valley shift is occurred due to the doping of vanadium. Chemical vapor deposition assisted grown MoS₂(also selenium doped MoS₂as shown here) is known for its n-type transport behavior while vanadium doping is found to be changing its nature to p-doping. Chirality dependent photoexcitation studies indicate a room temperature valley splitting in V-MoSSe (∼8 meV), where such a valley splitting is verified using density functional theory based calculations.

Keywords: DFT; MoS2; p-doping; spin-orbit coupling; valley splitting; valleytronics.