438
22 Layered Structures
(4) Bond mechanical compression stiffens all phonons. Theoretical matching to the
effect of compression derives the binding energy density E den , compressibility
β, the bulk modulus B 0 and their first-order derivatives β
and B
0 .
Findings proved the essentiality of the BOLS-LBA notion that has empowered
the Raman spectroscopy immensely in gaining quantitative information about the
dynamics of the representative bond and the properties of a specimen. Most strikingly, freely hypothetic adjustable parameters are avoided in the entire process of
data analysis. The attainments may inspire a new yet practical way of thinking about
the stimulus-bond-property correlation and approaches dealing with substance from
the perspective of average-bond approach with interdisciplinary nature, offering references for functional materials design and synthesis. Extending the exercises to
covering more stimuli and more properties of the substance would be even more
challenging, fascinating and rewarding.
References
1. S. Liu, N. Huo, S. Gan, Y. Li, Z. Wei, B. Huang, J. Liu, J. Li, H. Chen, Thicknessdependent Raman spectra, transport properties and infrared photoresponse of few-layer black
phosphorus. J Mater Chem C 3(42), 10974–10980 (2015)
2. W. Zhao, Z. Ghorannevis, L. Chu, M. Toh, C. Kloc, P.-H. Tan, G. Eda, Evolution of electronic
structure in atomically thin sheets of WS 2 and WSe 2 . ACS Nano 7(1), 791–797 (2012)
3. X. Fan, C.-H. Chang, W. Zheng, J.-L. Kuo, D.J. Singh, The electronic properties of single-layer
and multi-layer MoS 2 under High pressure. J. Phys. Chem. C 119, 10189–10196 (2015)
4. C.Q. Sun, S.Y. Fu, Y.G. Nie, Dominance of broken bonds and unpaired nonbonding pielectrons in the band gap expansion and edge states generation in graphene nanoribbons. J.
Phys. Chem. C 112(48), 18927–18934 (2008)
5. O. Hod, V. Barone, J.E. Peralta, G.E. Scuseria, Enhanced half-metallicity in edge-oxidized
zigzag graphene nanoribbons. Nano Lett. 7(8), 2295–2299 (2007)
6. L. Brey, H. Fertig, Electronic states of graphene nanoribbons studied with the Dirac equation.
Phys. Rev. B 73(23), 235411 (2006)
7. F.M.D. Pellegrino, G.G.N. Angilella, R. Pucci, Strain effect on the optical conductivity of
graphene. Phys. Rev. B 81(3), 035411 (2010)
8. S.H.M. Jafri, K. Carva, E. Widenkvist, T. Blom, B. Sanyal, J. Fransson, O. Eriksson, U.
Jansson, H. Grennberg, O. Karis, R.A. Quinlan, B.C. Holloway, K. Leifer, Conductivity
engineering of graphene by defect formation. J. Phys. D Appl. Phys. 43(4), 045404 (2010)
9. Y.W. Son, M.L. Cohen, S.G. Louie, Energy gaps in graphene nanoribbons. Phys. Rev. Lett.
97(21), 216803 (2006)
10. M. Fujita, K. Wakabayashi, K. Nakada, K. Kusakabe, Peculiar localized state at zigzag
graphite edge. J. Phys. Soc. Jpn. 65(7), 1920–1923 (1996)
11. L. Yang, C.-H. Park, Y.-W. Son, M.L. Cohen, S.G. Louie, Quasiparticle Energies and Band
Gaps in Graphene Nanoribbons. Phys. Rev. Lett. 99(18), 186801 (2007)
12. V. Barone, O. Hod, G.E. Scuseria, Electronic Structure and Stability of Semiconducting
Graphene Nanoribbons. Nano Lett. 6(12), 2748–2754 (2006)
13. K.F. Mak, C. Lee, J. Hone, J. Shan, T.F. Heinz, Atomically thin MoS 2 : a new direct-gap
semiconductor. Phys. Rev. Lett. 105(13), 136805 (2010)
14. A. Kumar, P. Ahluwalia, Electronic structure of transition metal dichalcogenides monolayers
1H-MX 2 (M=Mo, W; X=S, Se, Te) from ab-initio theory: new direct band gap semiconductors.
Eur. Phys. J. B 85(6), 1–7 (2012)
22 Layered Structures
(4) Bond mechanical compression stiffens all phonons. Theoretical matching to the
effect of compression derives the binding energy density E den , compressibility
β, the bulk modulus B 0 and their first-order derivatives β
and B
0 .
Findings proved the essentiality of the BOLS-LBA notion that has empowered
the Raman spectroscopy immensely in gaining quantitative information about the
dynamics of the representative bond and the properties of a specimen. Most strikingly, freely hypothetic adjustable parameters are avoided in the entire process of
data analysis. The attainments may inspire a new yet practical way of thinking about
the stimulus-bond-property correlation and approaches dealing with substance from
the perspective of average-bond approach with interdisciplinary nature, offering references for functional materials design and synthesis. Extending the exercises to
covering more stimuli and more properties of the substance would be even more
challenging, fascinating and rewarding.
References
1. S. Liu, N. Huo, S. Gan, Y. Li, Z. Wei, B. Huang, J. Liu, J. Li, H. Chen, Thicknessdependent Raman spectra, transport properties and infrared photoresponse of few-layer black
phosphorus. J Mater Chem C 3(42), 10974–10980 (2015)
2. W. Zhao, Z. Ghorannevis, L. Chu, M. Toh, C. Kloc, P.-H. Tan, G. Eda, Evolution of electronic
structure in atomically thin sheets of WS 2 and WSe 2 . ACS Nano 7(1), 791–797 (2012)
3. X. Fan, C.-H. Chang, W. Zheng, J.-L. Kuo, D.J. Singh, The electronic properties of single-layer
and multi-layer MoS 2 under High pressure. J. Phys. Chem. C 119, 10189–10196 (2015)
4. C.Q. Sun, S.Y. Fu, Y.G. Nie, Dominance of broken bonds and unpaired nonbonding pielectrons in the band gap expansion and edge states generation in graphene nanoribbons. J.
Phys. Chem. C 112(48), 18927–18934 (2008)
5. O. Hod, V. Barone, J.E. Peralta, G.E. Scuseria, Enhanced half-metallicity in edge-oxidized
zigzag graphene nanoribbons. Nano Lett. 7(8), 2295–2299 (2007)
6. L. Brey, H. Fertig, Electronic states of graphene nanoribbons studied with the Dirac equation.
Phys. Rev. B 73(23), 235411 (2006)
7. F.M.D. Pellegrino, G.G.N. Angilella, R. Pucci, Strain effect on the optical conductivity of
graphene. Phys. Rev. B 81(3), 035411 (2010)
8. S.H.M. Jafri, K. Carva, E. Widenkvist, T. Blom, B. Sanyal, J. Fransson, O. Eriksson, U.
Jansson, H. Grennberg, O. Karis, R.A. Quinlan, B.C. Holloway, K. Leifer, Conductivity
engineering of graphene by defect formation. J. Phys. D Appl. Phys. 43(4), 045404 (2010)
9. Y.W. Son, M.L. Cohen, S.G. Louie, Energy gaps in graphene nanoribbons. Phys. Rev. Lett.
97(21), 216803 (2006)
10. M. Fujita, K. Wakabayashi, K. Nakada, K. Kusakabe, Peculiar localized state at zigzag
graphite edge. J. Phys. Soc. Jpn. 65(7), 1920–1923 (1996)
11. L. Yang, C.-H. Park, Y.-W. Son, M.L. Cohen, S.G. Louie, Quasiparticle Energies and Band
Gaps in Graphene Nanoribbons. Phys. Rev. Lett. 99(18), 186801 (2007)
12. V. Barone, O. Hod, G.E. Scuseria, Electronic Structure and Stability of Semiconducting
Graphene Nanoribbons. Nano Lett. 6(12), 2748–2754 (2006)
13. K.F. Mak, C. Lee, J. Hone, J. Shan, T.F. Heinz, Atomically thin MoS 2 : a new direct-gap
semiconductor. Phys. Rev. Lett. 105(13), 136805 (2010)
14. A. Kumar, P. Ahluwalia, Electronic structure of transition metal dichalcogenides monolayers
1H-MX 2 (M=Mo, W; X=S, Se, Te) from ab-initio theory: new direct band gap semiconductors.
Eur. Phys. J. B 85(6), 1–7 (2012)