A model for ab initio calculation of the phonon properties of three-component solid solutions of refractory-metal dichalcogenides was developed based on the assumption that displacements of the same type of chalcogen atoms and decoupled displacements of the metal atoms were identical. The calculated phonon frequencies at the Γ-point for monomolecular layers of MoS2–xSex and MoS2–xTex agreed with existing experimental Raman spectra.
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G. R. Bhimanapati, Z. Lin, V. Meunier, Y. Jung, J. Cha, S. Das, D. Xiao, Y. Son, M. S. Strano, V. R. Cooper, L. Liang, S. G. Louie, E. Ringe, W. Zhou, S. S. Kim, R. R. Naik, B. G. Sumpter, H. Terrones, F. Xia, Y. Wang, J. Zhu, D. Akinwande, N. Alem, J. A. Schuller, R. E. Schaak, M. Terrones, and J. A. Robinson, ACSNano: Rev., 9, No. 12, 11509–11539 (2015).
Q. H. Wang, K. Kalantar-Zadeh, A. Kis, J. N. Coleman, and M. S. Strano, Nat. Nanotechnol., 7, No. 11, 699–712 (2012).
C. Ataca, M. Topsakal, E. Akturk, and S. Ciraci, J. Phys. Chem. C, 115, No. 33, 16354–16361 (2011).
A. A. Maradudin, E. W. Montroll, and G. H. Weiss, Theory of Lattice Dynamics in the Harmonic Approximation, Academic Press, New York, London (1963) [Russian translation, Mir, Moscow (1965)].
M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys., 64, 1045–1097 (1992).
W. H. Weber and R. Merlin (Eds.), Raman Scattering in Materials Science, Springer Science & Business Media (2013), p. 42.
Y. S. Chen, W. Shockley, and G. L. Pearson, Phys. Rev., 151, No. 2, 648 (1966).
R. M. Pick, M. H. Cohen, and R. M. Martin, Phys. Rev. B: Solid State, 1, No. 2, 910–920 (1970).
X. Gonze and C. Lee, Phys. Rev. B: Condens. Matter Mater. Phys., 55, No. 16, 10355–10368 (1997).
D. M. Ceperly and B. J. Alder, Phys. Rev. Lett., 45, No. 7, 566–569 (1980).
A. Yu. Alekseev, A. V. Krivosheeva, V. L. Shaposhnikov, and V. E. Borisenko, Zh. Prikl. Spektrosk., 83, No. 6, 989–992 (2016) [A. Yu. Alexeev, A. V. Krivosheeva, V. L. Shaposhnikov, and V. E. Borisenko, J. Appl. Spectrosc., 83, 1035–1038 (2016)].
S. Tongay, J. Zhou, C. Ataca, K. Lo, T. S. Matthews, J. Li, J. C. Grossman, and J. Wu, Nano Lett., 12, No. 11, 5576–5580 (2012).
M. Yamamoto, S. T. Wang, M. Ni, Y.-F. Lin, S.-L. Li, S. Aikawa, W.-B. Jian, K. Ueno, K. Wakabayashi, and K. Tsukagoshi, ACSNano, 8, No. 4, 3895–3903 (2014).
A. Molina-Sanchez and L. Wirtz, Phys. Rev. B: Condens. Matter Mater. Phys., 84, No. 15, 155413 (1–8) (2011).
X. Zhang, X.-F. Qiao, W. Shi, J.-B. Wu, D.-S. Jianga, and P.-H. Tan, Chem. Soc. Rev., 44, No. 9, 2757–2785 (2015).
J. Mann, Q. Ma, P. M. Odenthal, M. Isarraraz, D. Le, E. Preciado, D. Barroso, K. Yamaguchi, G. von Son Palacio, A. Nguyen, T. Tran, M. Wurch, A. Nguyen, V. Klee, S. Bobek, D. Sun, T. F. Heinz, T. S. Rahman, R. Kawakami, and L. Bartels, Adv. Mater., 26, No. 9, 1399–1404 (2014).
Q. Feng, N. Mao, J. Wu, H. Xu, C. Wang, J. Zhang, L. Xie, ACSNano, 9, No. 7, 7450–7455 (2015).
J. Jadczak, D. O. Dumcenco, Y. S. Huang, Y. C. Lin, K. Suenaga, P. H. Wu, H. P. Hsu, and K. K. Tiong, J. Appl. Phys., 116, No. 19, 193505 (1–7) (2014).
Chanchal and A. K. Garg, J. Raman Spectrosc., 39, No. 1, 115–118 (2008).
T. G. Wieting, A. Grisel, and F. Levy, Physica B+C (Amsterdam), 99, No. 1, 337–342 (1980).
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 84, No. 4, pp. 554–560, July–August, 2017.
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Alexeev, A.Y., Krivosheeva, A.V., Shaposhnikov, V.L. et al. Simulation of Phonon Spectra in Three-Component Two-Dimensional Crystals of Refractory-Metal Dichalcogenides. J Appl Spectrosc 84, 581–587 (2017). https://doi.org/10.1007/s10812-017-0514-3
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DOI: https://doi.org/10.1007/s10812-017-0514-3