Itinerant ferromagnetism in 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>p</mml:mi></mml:math>
-doped monolayers of 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>MoS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>

Gao, Yuqiang; Ganguli, Nirmal; Kelly, Paul J.

doi:10.1103/physrevb.99.220406

Cited by 21 publications

(14 citation statements)

References 50 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[6][7][8] Pioneering efforts toward achieving DMS behavior in semiconducting transition metal dichalcogenides (TMD) [9,10] have recently burgeoned on atomically thin samples toward the introduction of magnetic transition metal ions such as V, [11] Ni, [12] Co, [13] and Mn [14] into the host lattice. While firstprinciples calculations predict tunable ferromagnetism in V-doped MoS 2 , [15] WS 2 , [16] and WSe 2 [17] monolayers, the reliable experimental realization of ferromagnetism in thin-film samples [18] has been challenging.…”

Section: Doi: 101002/advs202001174mentioning

confidence: 99%

“…Density functional theory calculations show local moments on substitutional vanadium atoms whose spin polarization and coupling are sensitive to the relative placement of dopants, a behavior similar to that seen in other computational investigations of doped TMDs. [15,16,40] A single vanadium dopant in a 7 × 7 supercell hosts a local moment of 0.67 B with vanadium d z 2 character associated with a partially occupied spin-split defect level sitting ≈74 meV below the valence band maximum, as shown in Figure 3. Table 1 compiles the results of the interaction between two vanadium dopants in this supercell.…”

Section: Doi: 101002/advs202001174mentioning

confidence: 99%

See 1 more Smart Citation

Monolayer Vanadium‐Doped Tungsten Disulfide: A Room‐Temperature Dilute Magnetic Semiconductor

et al. 2020

View full text Add to dashboard Cite

Dilute magnetic semiconductors (DMS), achieved through substitutional doping of spin-polarized transition metals into semiconducting systems, enable experimental modulation of spin dynamics in ways that hold great promise for novel magneto-electric or magneto-optical devices, especially for two-dimensional (2D) systems such as transition metal dichalcogenides that accentuate interactions and activate valley degrees of freedom. Practical applications of 2D magnetism will likely require room-temperature operation, air stability, and (for magnetic semiconductors) the ability to achieve optimal doping levels without dopant aggregation. Here, room-temperature ferromagnetic order obtained in semiconducting vanadium-doped tungsten disulfide monolayers produced by a reliable single-step film sulfidation method across an exceptionally wide range of vanadium concentrations, up to 12 at% with minimal dopant aggregation, is described. These monolayers develop p-type transport as a function of vanadium incorporation and rapidly reach ambipolarity. Ferromagnetism peaks at an intermediate vanadium concentration of˜2 at% and decreases for higher concentrations, which is consistent with quenching due to orbital hybridization at closer vanadium-vanadium spacings, as supported by transmission electron microscopy, magnetometry, and first-principles calculations. Room-temperature 2D-DMS provide a new component to expand the functional scope of van der Waals heterostructures and bring semiconducting magnetic 2D heterostructures into the realm of practical application.

show abstract

Section: Doi: 101002/advs202001174mentioning

confidence: 99%

Section: Doi: 101002/advs202001174mentioning

confidence: 99%

Monolayer Vanadium‐Doped Tungsten Disulfide: A Room‐Temperature Dilute Magnetic Semiconductor

et al. 2020

View full text Add to dashboard Cite

show abstract

“…An alternative strategy to induce long‐range ferromagnetism (FM) in TMDs is through the introduction of small quantities of magnetic dopants to form a dilute magnetic semiconductor. Density functional theory (DFT) has predicted tunable ferromagnetism over a wide range of monolayer TMD semiconductors doped with magnetic transition metals, such as V‐doped MoS 2 , [ 26,27 ] V‐doped WS 2 , [ 28 ] and V‐doped WSe 2 . [ 29 ] Calculations by Gao et al.…”

Section: Figurementioning

confidence: 99%

“…[ 5,33,34 ] Our findings also assert the recent DFT predictions of long‐range FM tunability in 2D TMD semiconductors by changing the vanadium concentration. [ 26–28,31 ]…”

Section: Figurementioning

confidence: 99%

Tunable Ferromagnetism and Thermally Induced Spin Flip in Vanadium‐Doped Tungsten Diselenide Monolayers at Room Temperature

et al. 2020

View full text Add to dashboard Cite

The outstanding optoelectronic and valleytronic properties of transition metal dichalcogenides (TMDs) have triggered intense research efforts by the scientific community. An alternative to induce long‐range ferromagnetism (FM) in TMDs is by introducing magnetic dopants to form a dilute magnetic semiconductor. Enhancing ferromagnetism in these semiconductors not only represents a key step toward modern TMD‐based spintronics, but also enables exploration of new and exciting dimensionality‐driven magnetic phenomena. To this end, tunable ferromagnetism at room temperature and a thermally induced spin flip (TISF) in monolayers of V‐doped WSe2 are shown. As vanadium concentration increases, the saturation magnetization increases, which is optimal at ≈4 at% vanadium; the highest doping level ever achieved for V‐doped WSe2 monolayers. The TISF occurs at ≈175 K and becomes more pronounced upon increasing the temperature toward room temperature. The TISF can be manipulated by changing the vanadium concentration. The TISF is attributed to the magnetic‐field‐ and temperature‐dependent flipping of the nearest W‐site magnetic moments that are antiferromagnetically coupled to the V magnetic moments in the ground state. This is fully supported by a recent spin‐polarized density functional theory study. The findings pave the way for the development of novel spintronic and valleytronic nanodevices and stimulate further research.

show abstract

“…1(b), we explore a different approach to making MoS 2 ferromagnetic in this manuscript. 52 Group VIB Mo has a 4d 5 5s 1 electronic configuration and, in a dichalcogenide like MoS 2 , is nominally Mo 4+ with one up-spin and one down-spin d electron so it is nonmagnetic as seen in Fig. 1(b).…”

Section: Introductionmentioning

confidence: 99%

DFT study of itinerant ferromagnetism in p -doped monolayers of MoS2

2019

Self Cite

View full text Add to dashboard Cite

We use density functional theory to explore the possibility of making the semiconducting transition-metal dichalcogenide MoS2 ferromagnetic by introducing holes into the narrow Mo d band that forms the top of the valence band. In the single impurity limit, the repulsive Coulomb potential of an acceptor atom and intervalley scattering lead to a twofold orbitally degenerate effective-mass like e state being formed from Mo d x 2 −y 2 and dxy states, bound to the K and K valence band maxima. It also leads to a singly degenerate a 1 state with Mo d 3z 2 −r 2 character bound to the slightly lower lying valence band maximum at Γ. Within the accuracy of our calculations, these e and a 1 states are degenerate for MoS2 and accommodate the hole that polarizes fully in the local spin density approximation in the impurity limit. With spin-orbit coupling included, we find a single ion magnetic anisotropy of ∼ 5 meV favouring out-of-plane orientation of the magnetic moment. Pairs of such hole states introduced by V, Nb or Ta doping are found to couple ferromagnetically unless the dopant atoms are too close in which case the magnetic moments are quenched by the formation of spin singlets. Combining these exchange interactions with Monte Carlo calculations allows us to estimate ordering temperatures as a function of x. For x ∼ 9%, Curie temperatures as high as 100K for Nb and Ta and in excess of 160K for V doping are predicted. Factors limiting the ordering temperature are identified and suggestions made to circumvent these limitations. PACS numbers: 75.70.Ak, 73.22.-f, 75.30.Hx, 75.50.Pp FIG. 2. Schematic of the effective mass acceptor states bound to the valence band maxima (VBM): an e state bound to the K-K VBM and an a 1 state to the Γ VBM. n is the principal quantum number and only n = 1, 2, 3 levels of the Rydberg series are sketched at the Γ point.

show abstract

Itinerant ferromagnetism in p -doped monolayers of MoS2

Cited by 21 publications

References 50 publications

Monolayer Vanadium‐Doped Tungsten Disulfide: A Room‐Temperature Dilute Magnetic Semiconductor

Monolayer Vanadium‐Doped Tungsten Disulfide: A Room‐Temperature Dilute Magnetic Semiconductor

Tunable Ferromagnetism and Thermally Induced Spin Flip in Vanadium‐Doped Tungsten Diselenide Monolayers at Room Temperature

DFT study of itinerant ferromagnetism in p -doped monolayers of MoS2

Contact Info

Product

Resources

About