Temperature effect on lattice and electronic structures of WTe2 from first-principles study

Liu, Gang; Liu, Huimei; Zhou, Jian; Wan, Xiangang

doi:10.1063/1.4974946

Cited by 11 publications

(7 citation statements)

References 49 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Technically however, it is highly unlikely that WTe 2 shows a temperature dependent band structure as it neither shows structural nor electronic phase transition down to the lowest possible temperature from the room temperature [1,32]. In agreement with this view, a recent band structure study using firstprinciple calculations with the inclusions of temperature effect suggests for no dramatic changes in the band structure of WTe 2 below 300 K [33]. Hence, it is interesting to study the band structure of WTe 2 as a function of temperature to reveal the discrepancies between the experiment and the theory and to further understand the origin of XMR.…”

Section: A Introductionmentioning

confidence: 90%

Temperature-independent band structure of WTe2 as observed from angle-resolved photoemission spectroscopy

et al. 2017

View full text Add to dashboard Cite

Extremely large magnetoresistance (XMR), observed in transition metal dichalcogendies, WTe2, has attracted recently a great deal of research interests as it shows no sign of saturation up to the magnetic field as high as 60 T, in addition to the presence of type-II Weyl fermions. Currently, there has been a lot of discussion on the role of band structure changes on the temperature dependent XMR in this compound. In this contribution, we study the band structure of WTe2 using angleresolved photoemission spectroscopy (ARPES) and first-principle calculations to demonstrate that the temperature dependent band structure has no substantial effect on the temperature dependent XMR as our measurements do not show band structure changes on increasing the sample temperature between 20 and 130 K. We further observe an electronlike surface state, dispersing in such a way that it connects the top of bulk holelike band to the bottom of bulk electronlike band. Interestingly, similar to bulk states, the surface state is also mostly intact with the sample temperature. Our results provide invaluable information in shaping the mechanism of temperature dependent XMR in WTe2. arXiv:1705.09146v2 [cond-mat.mtrl-sci]

show abstract

Section: A Introductionmentioning

confidence: 90%

Temperature-independent band structure of WTe2 as observed from angle-resolved photoemission spectroscopy

et al. 2017

View full text Add to dashboard Cite

show abstract

“…Another important feature of the MR in WTe 2 can be manifested by its strong dependence on temperature. This behavior has been proposed to arise from the temperature-dependent electronic band structure of WTe 2 . ,, However, recent works , have shown that the temperature has a negligible effect on the band structure of WTe 2 . The achieved charge compensation in our samples also allows us to explicitly study the effect of temperature on the MR and carrier dynamics.…”

mentioning

confidence: 99%

Direct Evidence for Charge Compensation-Induced Large Magnetoresistance in Thin WTe₂

Wang

Liu

et al. 2019

Nano Lett.

View full text Add to dashboard Cite

Since the discovery of extremely large non-saturating magnetoresistance (MR) in WTe2, much effort has been devoted to understanding the underlying mechanism, which is still under debate. Here, we explicitly identify the dominant physical origin of the large non-saturating MR through in-situ tuning of the magnetotransport properties in thin WTe2 film. With an electrostatic doping approach, we observed a non-monotonic gate dependence of the MR. The MR reaches a maximum (10600%) in thin WTe2 film at certain gate voltage where electron and hole concentrations are balanced, indicating that the charge compensation is the dominant mechanism of the observed large MR. Besides, we show that the temperature dependent magnetoresistance exhibits similar tendency with the carrier mobility when the charge compensation is retained, revealing that distinct scattering mechanisms may be at play for the temperature dependence of magneto-transport properties. Our work would be helpful for understanding mechanism of the large MR in other nonmagnetic materials and offers an avenue for achieving large MR in the non-magnetic materials with electron-hole pockets.

show abstract

“…Besides the unique electronic structure and large lattice expansion, other effects such as charge localization or delocalization and similar temperature effects in degenerate semiconductor as proposed to explain the temperature‐induced Lifshitz transition in (Zr, Hf)Te 5 cannot be fully excluded from the mechanism of temperature‐induced Lifshitz transition in T d ‐WTe 2 . We note that a recent DFT calculation fails in reproducing the observed band evolution, possibly because it used a much smaller volume expansion coefficient obtained from calculation (about 1.7 × 10 −5 /K compared with 7.2 × 10 −5 /K from our experiment).…”

mentioning

confidence: 82%

Lifshitz Transitions Induced by Temperature and Surface Doping in Type‐II Weyl Semimetal Candidate T_d‐WTe₂

Zhang

Liu

Sun

et al. 2017

Physica Rapid Research Ltrs

View full text Add to dashboard Cite

Using high resolution angle-resolved photoemission spectroscopy, we systematically investigate the electronic structure of T d -WTe 2 , which has attracted substantial research attention due to its diverse and fascinating properties, especially the predicted type-II topological Weyl semimetal (TWS) phase. The observed significant lattice contraction and the fact that our ARPES measurements are well reproduced by our ab initio calculations under reduced lattice constants support the theoretical prediction of a type-II TWS phase in T d -WTe 2 at temperatures below 10 K. We also investigate the evolution of the electronic structure of T d -WTe 2 and realize two-stage Lifshitz transitions induced by temperature regulation and surface modification, respectively. Our results not only shed light on the understanding of the electronic structure of T d -WTe 2 , but also provide a promising method to manipulate the electronic structures and physical properties of the type-II TWS T d -XTe 2 .Topological Weyl semimetals (TWSs) are characterized by the existence of bulk Weyl fermions and topological surface Fermiarcs connecting each pair of Weyl points (WPs) of opposite chirality. [1] Upon their discovery, TWSs have evoked enormous research interests due to their intriguing physical properties and broad application potential. [1][2][3][4][5][6][7][8][9] Soon after the establishment of the TWS phase in the transition metal mono-pnictide (TMMP) family, [10][11][12][13][14][15][16][17] the type-II TWS phase was theoretically proposed in T d -XTe 2 (X ¼ W, Mo) that violates the Lorentz symmetry, [18] thus the strongly tilted bulk Weyl cones introduce non-vanishing bulk (both electron and hole) Fermi pockets on the Fermi surface (FS). [18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35] Compared to the complicated distribution of 24 Weyl fermions in the TMMPs and their three-dimensional (3D) crystal structures, [10][11][12][13][14][15] T d -XTe 2 not only has much more concise distribution of Weyl fermions, but also crystallizes into layered structure, thus providing a more promising material basis to design, process, and fabricate TWS-based electronic and spintronic devices.Besides being recognized as type-II TWSs, T d -XTe 2 materials are well known to possess other rich and intriguing physical properties, such as quantum spin Hall effect, [36][37][38] nonsaturating magnetoresistance, [39,40] strong spin-orbit

show abstract

Temperature effect on lattice and electronic structures of WTe2 from first-principles study

Cited by 11 publications

References 49 publications

Temperature-independent band structure of WTe2 as observed from angle-resolved photoemission spectroscopy

Temperature-independent band structure of WTe2 as observed from angle-resolved photoemission spectroscopy

Direct Evidence for Charge Compensation-Induced Large Magnetoresistance in Thin WTe₂

Lifshitz Transitions Induced by Temperature and Surface Doping in Type‐II Weyl Semimetal Candidate T_d‐WTe₂

Contact Info

Product

Resources

About

Temperature effect on lattice and electronic structures of WTe2 from first-principles study

Cited by 11 publications

References 49 publications

Temperature-independent band structure of WTe2 as observed from angle-resolved photoemission spectroscopy

Temperature-independent band structure of WTe2 as observed from angle-resolved photoemission spectroscopy

Direct Evidence for Charge Compensation-Induced Large Magnetoresistance in Thin WTe2

Lifshitz Transitions Induced by Temperature and Surface Doping in Type‐II Weyl Semimetal Candidate Td‐WTe2

Contact Info

Product

Resources

About

Direct Evidence for Charge Compensation-Induced Large Magnetoresistance in Thin WTe₂

Lifshitz Transitions Induced by Temperature and Surface Doping in Type‐II Weyl Semimetal Candidate T_d‐WTe₂