Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

R. Sahu; U. Bhat; Nitin M Batra; H. Sharona; B. Vishal; S. Sarkar; Assa Aravindh Sasikala Devi; S. C. Peter; Iman S. Roqan; Pedro M. F. J. Da Costa; Ranjan Datta

doi:10.1063/1.4977111

Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

R. Sahu, U. Bhat, Nitin M Batra, H. Sharona, B. Vishal, S. Sarkar, Assa Aravindh Sasikala Devi, S. C. Peter, Iman S. Roqan, Pedro M. F. J. Da Costa, Ranjan Datta

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Abstract

We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition cross over at ∼50 at. % of Mo and W in ReS2 in both monolayer and bulk form, respectively. Experimentally, two different types of structural modulations at 50% and a modulation corresponding to trimerization at 75% alloy composition are observed for RexMo1-xS2 and only one type of modulation is observed at the 50% RexW1-xS2 alloy system. The 50% alloy system is found to be a suitable monolithic candidate for metal semiconductor transition with minute external perturbation. ReS2 is known to be in the 2D Peierls distorted 1Td structure and forms a chain like superstructure. Incorporation of Mo and W atoms into the ReS2 lattice modifies the metal-metal hybridization between the cations and influences the structural modulation and electronic properties of the system. The results offer yet another effective way to tune the electronic structure and poly-type phases of this class of materials other than intercalation, strain, and vertical stacking arrangement.

Original language	English (US)
Pages (from-to)	105101
Journal	Journal of Applied Physics
Volume	121
Issue number	10
DOIs	https://doi.org/10.1063/1.4977111
State	Published - Mar 8 2017

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledged KAUST grant number(s): Project No. k1143
Acknowledgements: The authors at JNCASR are grateful to Professor C. N. R. Rao for the constant support and advanced microscopy facility. R.D. thanks KAUST aberration corrected microscopy core lab facility and a Sabbatical Funding for the visit. For computer time, this research used the resources of the Supercomputing Laboratory at KAUST (Project No. k1143). I.S.R. and P.M.F.J.C. thank KAUST for financial support. S.S. thanks the Council of Scientific and Industrial Research for research fellowship and S.C.P. thanks the DST fast track (Grant No. SB/FT/Cs-07/2011) for the financial support.

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Sahu, R., Bhat, U., Batra, N. M., Sharona, H., Vishal, B., Sarkar, S., Devi, A. A. S., Peter, S. C., Roqan, I. S., Da Costa, P. M. F. J., & Datta, R. (2017). Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys. Journal of Applied Physics, 121(10), 105101. https://doi.org/10.1063/1.4977111

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title = "Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys",

abstract = "We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition cross over at ∼50 at. % of Mo and W in ReS2 in both monolayer and bulk form, respectively. Experimentally, two different types of structural modulations at 50% and a modulation corresponding to trimerization at 75% alloy composition are observed for RexMo1-xS2 and only one type of modulation is observed at the 50% RexW1-xS2 alloy system. The 50% alloy system is found to be a suitable monolithic candidate for metal semiconductor transition with minute external perturbation. ReS2 is known to be in the 2D Peierls distorted 1Td structure and forms a chain like superstructure. Incorporation of Mo and W atoms into the ReS2 lattice modifies the metal-metal hybridization between the cations and influences the structural modulation and electronic properties of the system. The results offer yet another effective way to tune the electronic structure and poly-type phases of this class of materials other than intercalation, strain, and vertical stacking arrangement.",

author = "R. Sahu and U. Bhat and Batra, {Nitin M} and H. Sharona and B. Vishal and S. Sarkar and Devi, {Assa Aravindh Sasikala} and Peter, {S. C.} and Roqan, {Iman S.} and {Da Costa}, {Pedro M. F. J.} and Ranjan Datta",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledged KAUST grant number(s): Project No. k1143 Acknowledgements: The authors at JNCASR are grateful to Professor C. N. R. Rao for the constant support and advanced microscopy facility. R.D. thanks KAUST aberration corrected microscopy core lab facility and a Sabbatical Funding for the visit. For computer time, this research used the resources of the Supercomputing Laboratory at KAUST (Project No. k1143). I.S.R. and P.M.F.J.C. thank KAUST for financial support. S.S. thanks the Council of Scientific and Industrial Research for research fellowship and S.C.P. thanks the DST fast track (Grant No. SB/FT/Cs-07/2011) for the financial support.",

year = "2017",

month = mar,

day = "8",

doi = "10.1063/1.4977111",

language = "English (US)",

volume = "121",

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T1 - Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

AU - Sahu, R.

AU - Bhat, U.

AU - Batra, Nitin M

AU - Sharona, H.

AU - Vishal, B.

AU - Sarkar, S.

AU - Devi, Assa Aravindh Sasikala

AU - Peter, S. C.

AU - Roqan, Iman S.

AU - Da Costa, Pedro M. F. J.

AU - Datta, Ranjan

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledged KAUST grant number(s): Project No. k1143 Acknowledgements: The authors at JNCASR are grateful to Professor C. N. R. Rao for the constant support and advanced microscopy facility. R.D. thanks KAUST aberration corrected microscopy core lab facility and a Sabbatical Funding for the visit. For computer time, this research used the resources of the Supercomputing Laboratory at KAUST (Project No. k1143). I.S.R. and P.M.F.J.C. thank KAUST for financial support. S.S. thanks the Council of Scientific and Industrial Research for research fellowship and S.C.P. thanks the DST fast track (Grant No. SB/FT/Cs-07/2011) for the financial support.

PY - 2017/3/8

Y1 - 2017/3/8

N2 - We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition cross over at ∼50 at. % of Mo and W in ReS2 in both monolayer and bulk form, respectively. Experimentally, two different types of structural modulations at 50% and a modulation corresponding to trimerization at 75% alloy composition are observed for RexMo1-xS2 and only one type of modulation is observed at the 50% RexW1-xS2 alloy system. The 50% alloy system is found to be a suitable monolithic candidate for metal semiconductor transition with minute external perturbation. ReS2 is known to be in the 2D Peierls distorted 1Td structure and forms a chain like superstructure. Incorporation of Mo and W atoms into the ReS2 lattice modifies the metal-metal hybridization between the cations and influences the structural modulation and electronic properties of the system. The results offer yet another effective way to tune the electronic structure and poly-type phases of this class of materials other than intercalation, strain, and vertical stacking arrangement.

AB - We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition cross over at ∼50 at. % of Mo and W in ReS2 in both monolayer and bulk form, respectively. Experimentally, two different types of structural modulations at 50% and a modulation corresponding to trimerization at 75% alloy composition are observed for RexMo1-xS2 and only one type of modulation is observed at the 50% RexW1-xS2 alloy system. The 50% alloy system is found to be a suitable monolithic candidate for metal semiconductor transition with minute external perturbation. ReS2 is known to be in the 2D Peierls distorted 1Td structure and forms a chain like superstructure. Incorporation of Mo and W atoms into the ReS2 lattice modifies the metal-metal hybridization between the cations and influences the structural modulation and electronic properties of the system. The results offer yet another effective way to tune the electronic structure and poly-type phases of this class of materials other than intercalation, strain, and vertical stacking arrangement.

UR - http://hdl.handle.net/10754/623040

UR - http://aip.scitation.org/doi/full/10.1063/1.4977111

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U2 - 10.1063/1.4977111

DO - 10.1063/1.4977111

M3 - Article

SN - 0021-8979

VL - 121

SP - 105101

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 10

ER -

Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

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