Show simple item record

dc.contributor.authorBravo S
dc.contributor.authorPacheco M
dc.contributor.authorNuñez V
dc.contributor.authorCorrea J.D
dc.contributor.authorChico L.
dc.descriptionTwo-dimensional pentagonal structures based on the Cairo tiling are the basis of a family of layered materials with appealing physical properties. In this work we present a theoretical study of the symmetry-based electronic and optical properties of these pentagonal materials. We provide a complete classification of the space groups that support pentagonal structures for binary and ternary systems. By means of first-principles calculations, the electronic band structures and the local spin textures in momentum space are analyzed for four examples of these materials, namely, PdSeTe, PdSeS, InP5 and GeBi2, all of which are dynamically stable. Our results show that pentagonal structures can be realized in chiral and achiral lattices with Weyl nodes pinned at high-symmetry points and nodal lines along the Brillouin zone boundary; these degeneracies are protected by the combined action of crystalline and time-reversal symmetries. Additionally, we computed the linear and nonlinear optical features of the proposed pentagonal materials and discuss some particular features such as the shift current, which shows an enhancement due to the presence of nodal lines and points, and their possible applications. © The Royal Society of Chemistry.eng
dc.publisherRoyal Society of Chemistry
dc.titleTwo-dimensional Weyl points and nodal lines in pentagonal materials and their optical response
dc.publisher.programCiencias Básicas
dc.subject.keywordBismuth compoundseng
dc.subject.keywordGermanium compoundseng
dc.subject.keywordIndium compoundseng
dc.subject.keywordNanocrystalline materialseng
dc.subject.keywordOptical propertieseng
dc.subject.keywordPalladium compoundseng
dc.subject.keywordPhosphorus compoundseng
dc.subject.keywordSelenium compoundseng
dc.subject.keywordSpin fluctuationseng
dc.subject.keywordTellurium compoundseng
dc.subject.keywordBrillouin zone boundaryeng
dc.subject.keywordComplete classificationeng
dc.subject.keywordElectronic and optical propertieseng
dc.subject.keywordElectronic band structureeng
dc.subject.keywordFirst-principles calculationeng
dc.subject.keywordHigh-symmetry pointseng
dc.subject.keywordNon-linear opticaleng
dc.subject.keywordTime reversal symmetrieseng
dc.subject.keywordSulfur compoundseng
dc.publisher.facultyFacultad de Ciencias Básicas
dc.affiliationBravo, S., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.affiliationPacheco, M., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.affiliationNuñez, V., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.affiliationCorrea, J.D., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombia
dc.affiliationChico, L., Departamento de Física de Materiales, Facultad de Ciencias Físicas, Universidad Complutense de Madrid, Madrid, 28040, Spain
dc.relation.referencesMiró, P., Audiffred, M., Heine, T., (2014) Chem. Soc. Rev., 43, pp. 6537-6554
dc.relation.referencesNovoselov, K., Mishchenko, A., Carvalho, A., Castro Neto, A.H., (2016) Science, 353, p. aac9439
dc.relation.referencesSaptarshi, D., Robinson, J.A., Dubey, M., Terrones, H., Terrones, M., (2015) Annu. Rev. Mater. Res., 45, pp. 1-27
dc.relation.referencesFiori, G., Bonaccorso, F., Iannaccone, G., Palacios, T., Neumaier, D., Seabaugh, A., Banerjee, S.K., Colombo, L., (2014) Nat. Nanotechnol., 9, pp. 768-779
dc.relation.referencesWang, Q.H., Kalantar-Zadeh, K., Kis, A., Coleman, J.N., Strano, M.S., (2012) Nat. Nanotechnol., 7, pp. 699-712
dc.relation.referencesJain, A., Ong, S.P., Hautier, G., Chen, W., Richards, W.D., Dacek, S., Cholia, S., Persson, K.A., (2013) APL Mater., 1, p. 011002
dc.relation.referencesChoudhary, K., Kalish, I., Beams, R., Tavazza, F., (2017) Sci. Rep., 7, p. 5179
dc.relation.referencesHaastrup, S., Strange, M., Pandey, M., Deilmann, T., Schmidt, P.S., Hinsche, N.F., Gjerding, M.N., Thygesen, K.S., (2018) 2D Mater., 5, p. 042002
dc.relation.referencesMounet, N., Gibertini, M., Schwaller, P., Campi, D., Merkys, A., Marrazzo, A., Sohier, T., Marzari, N., (2018) Nat. Nanotechnol., 13, pp. 246-252
dc.relation.referencesChoudhary, K., Garrity, K.F., Reid, A.C.E., Decost, B., Biacchi, A.J., Walker, A.R.H., Trautt, Z., Tavazza, F., (2020) Npj Comput. Mater., 6, p. 173
dc.relation.referencesTalirz, L., Kumbhar, S., Passaro, E., Yakutovich, A.V., Granata, V., Gargiulo, F., Borelli, M., Marzari, N., (2020) Sci. Data, 7, p. 299
dc.relation.referencesOyedele, A.D., Yang, S., Liang, L., Puretzky, A.A., Wang, K., Zhang, J., Yu, P., Xiao, K., (2017) J. Am. Chem. Soc., 139, pp. 14090-14097
dc.relation.referencesTang, C.-P., Xiong, S.-J., Shi, W.-J., Cao, J., (2014) J. Appl. Phys., 115, p. 113702
dc.relation.referencesZhang, S., Zhou, J., Wang, Q., Chen, X., Kawazoe, Y., Jena, P., (2015) Proc. Natl. Acad. Sci. U. S. A., 112, pp. 2372-2377
dc.relation.referencesZhao, T., Zhang, S., Guo, Y., Wang, Q., (2016) Nanoscale, 8, pp. 233-242
dc.relation.referencesMa, Y., Kou, L., Li, X., Dai, Y., Heine, T., (2016) NPG Asia Mater., 8, p. e264
dc.relation.referencesLi, J., Fan, X., Wei, Y., Liu, H., Li, S., Zhao, P., Chen, G., (2016) Sci. Rep., 6, p. 33060
dc.relation.referencesZhao, L.-S., Wang, Y., Chen, C.-P., Liu, L.-L., Yu, H.-X., Zhang, Y., Chen, Y., Wang, X.-C., (2017) Phys. e, 91, pp. 82-87
dc.relation.referencesPang, Q., Liu, L., Zhao, J., (2017) J. Appl. Phys., 122, p. 094302
dc.relation.referencesNaseri, M., (2018) Chem. Phys. Lett., 706, pp. 99-106
dc.relation.referencesNaseri, M., Lin, S., Jalilian, J., Gu, J., Chen, Z., (2018) Front. Phys., 13, p. 138102
dc.relation.referencesNaseri, M., (2018) Phys. Lett. A, 382, pp. 710-715
dc.relation.referencesLiu, L., Kankam, I., Zhuang, H.L., (2018) Phys. Rev. B, 98, p. 205425
dc.relation.referencesZhao, K., Guo, Y., Shen, Y., Wang, Q., Kawazoe, Y., Jena, P., (2020) J. Phys. Chem. Lett., 11, pp. 3501-3506
dc.relation.referencesLiu, H., Qin, G., Lin, Y., Hu, M., (2016) Nano Lett., 16, pp. 3831-3842
dc.relation.referencesXiao, B., Li, Y.-C., Yu, X.-F., Cheng, J.-B., (2016) ACS Appl. Mater. Interfaces, 8, pp. 35342-35352
dc.relation.referencesWinczewski, S., Rybicki, J., (2019) Carbon, 146, pp. 572-587
dc.relation.referencesOyedele, A.D., Yang, S., Feng, T., Haglund, A.V., Gu, Y., Puretzky, A.A., Briggs, D., Xiao, K., (2019) J. Am. Chem. Soc., 141, pp. 8928-8936
dc.relation.referencesNguyen, G.D., Oyedele, A.D., Haglund, A., Ko, W., Liang, L., Puretzky, A.A., Mandrus, D., Li, A.-P., (2020) ACS Nano, 14, pp. 1951-1957
dc.relation.referencesLiu, L., Zhuang, H.L., (2018) Phys. Rev. Mater., 2, p. 114003
dc.relation.referencesZhuang, H.L., (2019) Comput. Mater. Sci., 159, pp. 448-453
dc.relation.referencesLiu, L., Kankam, I., Zhuang, H.L., (2019) Electron. Struct., 1, p. 015004
dc.relation.referencesM. Rao
dc.relation.referencesGiannozzi, P., Baseggio, O., Bonfà, P., Brunato, D., Car, R., Carnimeo, I., Cavazzoni, C., Baroni, S., (2020) J. Chem. Phys., 152, p. 154105
dc.relation.referencesEnkovaara, J., Rostgaard, C., Mortensen, J.J., Chen, J., Dulak, M., Ferrighi, L., Gavnholt, J., Hansen, H., (2010) J. Phys.: Condens. Matter, 22, p. 253202
dc.relation.referencesMostofi, A.A., Yates, J.R., Pizzi, G., Lee, Y.-S., Souza, I., Vanderbilt, D., Marzari, N., (2014) Comput. Phys. Commun., 185, pp. 2309-2310
dc.relation.referencesWu, Q., Zhang, S., Song, H.-F., Troyer, M., Soluyanov, A.A., (2018) Comput. Phys. Commun., 224, pp. 405-416
dc.relation.referencesMalashevich, A., Souza, I., (2010) Phys. Rev. B: Condens. Matter Mater. Phys., 82, p. 245118
dc.relation.referencesSipe, J.E., Shkrebtii, A.I., (2000) Phys. Rev. B: Condens. Matter Mater. Phys., 61, pp. 5337-5352
dc.relation.referencesElcoro, L., Bradlyn, B., Wang, Z., Vergniory, M.G., Cano, J., Felser, C., Bernevig, B.A., Aroyo, M.I., (2017) J. Appl. Crystallogr., 50, pp. 1457-1477
dc.relation.referencesBradley, C.J., Cracknell, A.P., (2010) The Mathematical Theory of Symmetry in Solids: Representation Theory for Point Groups and Space Groups, , Oxford University Press, Oxford, New York
dc.relation.referencesBravo, S., Correa, J., Chico, L., Pacheco, M., (2019) Sci. Rep., 9, p. 12754
dc.relation.referencesZhao, K., Li, X., Wang, S., Wang, Q., (2019) Phys. Chem. Chem. Phys., 21, pp. 246-251
dc.relation.referencesYuan, S., Zhou, Q., Wu, Q., Zhang, Y., Chen, Q., Hou, J.-M., Wang, J., (2017) Npj 2D Mater. Appl., 1, p. 29
dc.relation.referencesChang, G., Wieder, B.J., Schindler, F., Sanchez, D.S., Belopolski, I., Huang, S.-M., Singh, B., Hasan, M.Z., (2018) Nat. Mater., 17, pp. 978-985
dc.relation.referencesNye, J.F., (1985) Physical Properties of Crystals: Their Representation by Tensors and Matrices, , Oxford University Press, Oxford, New York
dc.relation.referencesAroyo, M.I., Kirov, A., Capillas, C., Perez-Mato, J.M., Wondratschek, H., (2006) Acta Crystallogr., Sect. A: Found. Crystallogr., 62, pp. 115-128
dc.relation.referencesLiu, L., Zhuang, H.L., (2019) Comput. Mater. Sci., 166, pp. 105-110
dc.relation.referencesDresselhaus, M.S., Dresselhaus, G., Jorio, A., (2008) Group Theory: Application to the Physics of Condensed Matter, , Springer-Verlag, Berlin Heidelberg
dc.relation.referencesVanderbilt, D., (2018) Berry Phases in Electronic Structure Theory: Electric Polarization, Orbital Magnetization and Topological Insulators, , Cambridge University Press
dc.relation.referencesHu, J., Xu, S.-Y., Ni, N., Mao, Z., (2019) Annu. Rev. Mater. Res., 49, pp. 207-252
dc.relation.referencesNagaosa, N., Morimoto, T., Tokura, Y., (2020) Nat. Rev. Mater., 5, pp. 621-636
dc.relation.referencesWang, Z., Sun, Y., Chen, X.-Q., Franchini, C., Xu, G., Weng, H., Dai, X., Fang, Z., (2012) Phys. Rev. B: Condens. Matter Mater. Phys., 85, p. 195320
dc.relation.referencesY.-M. Xie, X.-J. Gao, X. Y. Xu, C.-P. Zhang, J.-X. Hu and K. T. Law
dc.relation.referencesFang, C., Gilbert, M.J., Dai, X., Bernevig, B.A., (2012) Phys. Rev. Lett., 108, p. 266802
dc.relation.referencesTsirkin, S.S., Souza, I., Vanderbilt, D., (2017) Phys. Rev. B, 96, p. 045102
dc.relation.referencesEl-Batanouny, M., Wooten, F., (2008) Symmetry and Condensed Matter Physics: A Computational Approach, , Cambridge University Press
dc.relation.referencesSanchez, D.S., Belopolski, I., Cochran, T.A., Xu, X., Yin, J.-X., Chang, G., Xie, W., Hasan, M.Z., (2019) Nature, 567, pp. 500-505
dc.relation.referencesFlicker, F., De Juan, F., Bradlyn, B., Morimoto, T., Vergniory, M.G., Grushin, A.G., (2018) Phys. Rev. B, 98, p. 155145
dc.relation.referencesSánchez-Martínez, M.-A., De Juan, F., Grushin, A.G., (2019) Phys. Rev. B, 99, p. 155145
dc.relation.referencesJin, Y.-J., Wang, R., Zhao, J.-Z., Du, Y.-P., Zheng, C.-D., Gan, L.-Y., Liu, J.-F., Tong, S.Y., (2017) Nanoscale, 9, pp. 13112-13118
dc.relation.referencesAhn, J., Kim, D., Kim, Y., Yang, B.-J., (2018) Phys. Rev. Lett., 121, p. 106403
dc.relation.referencesLi, S., Liu, Y., Wang, S.-S., Yu, Z.-M., Guan, S., Sheng, X.-L., Yao, Y., Yang, S.A., (2018) Phys. Rev. B, 97, p. 045131
dc.relation.referencesZhong, C., Wu, W., He, J., Ding, G., Liu, Y., Li, D., Yang, S.A., Zhang, G., (2019) Nanoscale, 11, pp. 2468-2475
dc.relation.referencesWu, W., Jiao, Y., Li, S., Sheng, X.-L., Yu, Z.-M., Yang, S.A., (2019) Phys. Rev. Mater., 3, p. 054203
dc.relation.referencesSakano, M., Hirayama, M., Takahashi, T., Akebi, S., Nakayama, M., Kuroda, K., Taguchi, K., Kondo, T., (2020) Phys. Rev. Lett., 124, p. 136404
dc.relation.referencesBradlyn, B., Cano, J., Wang, Z., Vergniory, M.G., Felser, C., Cava, R.J., Bernevig, B.A., (2016) Science, 353, p. aaf5037
dc.relation.referencesShekhar, C., Nayak, A.K., Sun, Y., Schmidt, M., Nicklas, M., Leermakers, I., Zeitler, U., Yan, B., (2015) Nat. Phys., 11, pp. 645-649
dc.relation.referencesHuang, X., Zhao, L., Long, Y., Wang, P., Chen, D., Yang, Z., Liang, H., Chen, G., (2015) Phys. Rev. X, 5, p. 031023
dc.relation.referencesWang, S., Lin, B.-C., Wang, A.-Q., Yu, D.-P., Liao, Z.-M., (2017) Adv. Phys.: X, 2, pp. 518-544
dc.relation.referencesTsirkin, S.S., Puente, P.A., Souza, I., (2018) Phys. Rev. B, 97, p. 035158
dc.relation.referencesLiu, Z.K., Yang, L.X., Sun, Y., Zhang, T., Peng, H., Yang, H.F., Chen, C., Chen, Y.L., (2016) Nat. Mater., 15, pp. 27-31
dc.relation.referencesNishihaya, S., Uchida, M., Nakazawa, Y., Kriener, M., Kozuka, Y., Taguchi, Y., Kawasaki, M., (2018) Sci. Adv., 4, p. eaar5668
dc.relation.referencesIbañez-Azpiroz, J., Tsirkin, S.S., Souza, I., (2018) Phys. Rev. B, 97, p. 245143
dc.relation.referencesPospischil, A., Mueller, T., (2016) Appl. Sci., 6, p. 78
dc.relation.referencesLong, G., Sabatini, R., Saidaminov, M.I., Lakhwani, G., Rasmita, A., Liu, X., Sargent, E.H., Gao, W., (2020) Nat. Rev. Mater., 5, pp. 423-439
dc.relation.referencesMorell, E.S., Chico, L., Brey, L., (2017) 2D Mater., 4, p. 035015
dc.relation.referencesAddison, Z., Park, J., Mele, E.J., (2019) Phys. Rev. B, 100, p. 125418
dc.relation.referencesTan, L.Z., Zheng, F., Young, S.M., Wang, F., Liu, S., Rappe, A.M., (2016) Npj Comput. Mater., 2, p. 16026
dc.relation.referencesXu, Q., Zhang, Y., Koepernik, K., Shi, W., Van Den Brink, J., Felser, C., Sun, Y., (2020) Npj Comput Mater, 6, p. 32
dc.relation.referencesLe, C., Zhang, Y., Felser, C., Sun, Y., (2020) Phys. Rev. B, 102, p. 121111
dc.relation.referencesNi, Z., Xu, B., Sánchez-Martínez, M.Á., Zhang, Y., Manna, K., Bernhard, C., Venderbos, J.W.F., Wu, L., (2020) Npj Quantum Mater., 5, p. 96
dc.relation.referencesCook, A.M., Fregoso, B.M., De Juan, F., Coh, S., Moore, J.E., (2017) Nat. Commun., 8, p. 14176
dc.relation.referencesGallego, S.V., Etxebarria, J., Elcoro, L., Tasci, E.S., Perez-Mato, J.M., (2019) Acta Crystallogr., Sect. A: Found. Adv., 75, pp. 438-447
dc.relation.referencesRangel, T., Fregoso, B.M., Mendoza, B.S., Morimoto, T., Moore, J.E., Neaton, J.B., (2017) Phys. Rev. Lett., 119, p. 067402
dc.relation.referencesZhang, Y., Ishizuka, H., Van Den Brink, J., Felser, C., Yan, B., Nagaosa, N., (2018) Phys. Rev. B, 97, p. 241118
dc.relation.referencesZhang, Y., De Juan, F., Grushin, A.G., Felser, C., Sun, Y., (2019) Phys. Rev. B, 100, p. 245206
dc.relation.referencesYoung, S.M., Rappe, A.M., (2012) Phys. Rev. Lett., 109, p. 116601
dc.relation.referencesYoung, S.M., Zheng, F., Rappe, A.M., (2012) Phys. Rev. Lett., 109, p. 236601
dc.relation.referencesZenkevich, A., Matveyev, Y., Maksimova, K., Gaynutdinov, R., Tolstikhina, A., Fridkin, V., (2014) Phys. Rev. B: Condens. Matter Mater. Phys., 90, p. 161409
dc.relation.referencesBir, G., Pikus, G., (1974) Symmetry and Strain-induced Effects in Semiconductors, , Wiley
dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellín
dc.identifier.instnameinstname:Universidad de Medellín

Files in this item


There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record