D&D6 - Topological Materials

Project D&D6 searches for novel topological materials by combining conceptual development in the classification of topological phases with computational materials design and discovery. The scope of materials includes topological insulators, semimetals, but also materials realizing quantum spin liquid phases and twisted moiré superlattices. The predictions are supported by a broad range of experimental techniques, notably by angle-resolved photoemission and optical spectroscopies. The grand challenge of the project is realizing technological applications of materials belonging to this diverse, emerging class.

The project is led by Oleg Yazyev.

Group Leaders

Oleg Yazyev

Project leader

EPFL, Lausanne

Titus Neupert

Group leader

UZH, Zurich

Ming Shi

Group leader

PSI, Villigen PSI

Ana Akrap

Group leader

UniFR, Fribourg

View people involved

Related publications (until January 2021)

F. Giustino, J. H. Lee, F. Trier, M. Bibes, S. M. Winter, R. Valentí, Y. Son, L. Taillefer, C. Heil, A. I. Figueroa, B. Plaçais, Q. Wu, O. V. Yazyev, E. P. A. M. Bakkers, J. Nygård, P. Forn-Díaz, S. D. Franceschi, J. W. McIver, L. E. F. F. Torres, T. Low, A. Kumar, R. Galceran, S. O. Valenzuela, M. V. Costache, A. Manchon, E. Kim, G. R. Schleder, A. Fazzio, S. Roche, The 2020 Quantum Materials Roadmap, JPhys Materials 3, 042006 (2021). [Open Access URL]
Group(s): Yazyev / Project(s): DD6
A. Alexandradinata, A. Nelson, A. A. Soluyanov, Teleportation of Berry curvature on the surface of a Hopf insulator, Physical Review B 103, 045107 (2021). [Open Access URL]
Group(s): Soluyanov / Project(s): DD6
B. Padhi, A. Tiwari, T. Neupert, S. Ryu, Transport across twist angle domains in moiré graphene, Physical Review Research 2, 033458 (2020). [Open Access URL]
Group(s): Neupert / Project(s): DD6
T. E. Pahomi, M. Sigrist, A. A. Soluyanov, Braiding Majorana corner modes in a second-order topological superconductor, Physical Review Research 2, 032068 (2020). [Open Access URL]
Group(s): Soluyanov / Project(s): DD6
K. Čerņevičs, M. Pizzochero, O. V. Yazyev, Even–odd conductance effect in graphene nanoribbons induced by edge functionalization with aromatic molecules: basis for novel chemosensors, The European Physical Journal Plus 135, 681 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
F. Haddadi, Q. Wu, A. J. Kruchkov, O. V. Yazyev, Moiré Flat Bands in Twisted Double Bilayer Graphene, Nano Letters 20, 2410–2415 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
S. S. Tsirkin, High performance Wannier interpolation of Berry curvature and related quantities: WannierBerri code, arXiv:2008.07992, to be published in npj Computational Materials (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Neupert / Project(s): DD6
M. Pizzochero, R. Yadav, O. V. Yazyev, Magnetic exchange interactions in monolayer CrI₃ from many-body wavefunction calculations, 2D Materials 7, 035005 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
J. Ma, H. Wang, S. Nie, C. Yi, Y. Xu, H. Li, J. Jandke, W. Wulfhekel, Y. Huang, D. West, P. Richard, A. Chikina, V. N. Strocov, J. Mesot, H. Weng, S. Zhang, Y. Shi, T. Qian, M. Shi, H. Ding, Emergence of Nontrivial Low-Energy Dirac Fermions in Antiferromagnetic EuCd₂As₂, Advanced Materials 32, 1907565 (2020).
Dataset on Materials Cloud.
Group(s): Shi / Project(s): DD6
Y. Zhou, Z. Lou, S. Zhang, H. Chen, Q. Chen, B. Xu, J. Du, J. Yang, H. Wang, C. Xi, L. Pi, Q. Wu, O. V. Yazyev, M. Fang, Linear and quadratic magnetoresistance in the semimetal SiP₂, Physical Review B 102, 115145 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
C. Shen, Y. Chu, Q. Wu, N. Li, S. Wang, Y. Zhao, J. Tang, J. Liu, J. Tian, K. Watanabe, T. Taniguchi, R. Yang, Z. Y. Meng, D. Shi, O. V. Yazyev, G. Zhang, Correlated states in twisted double bilayer graphene, Nature Physics 16, 520–525 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
K. Čerņevičs, O. V. Yazyev, M. Pizzochero, Electronic transport across quantum dots in graphene nanoribbons: Toward built-in gap-tunable metal-semiconductor-metal heterojunctions, Physical Review B 102, 201406 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev, Akrap / Project(s): DD6
A. Pulkin, O. V. Yazyev, Controlling the Quantum Spin Hall Edge States in Two-Dimensional Transition Metal Dichalcogenides, The Journal of Physical Chemistry Letters 11, 6964 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
V. M. Katukuri, P. Babkevich, O. Mustonen, H. C. Walker, B. Fåk, S. Vasala, M. Karppinen, H. M. Rønnow, O. V. Yazyev, Exchange Interactions Mediated by Nonmagnetic Cations in Double Perovskites, Physical Review Letters 124, 077202 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
Q. Chen, Z. Lou, S. Zhang, B. Xu, Y. Zhou, H. Chen, S. Chen, J. Du, H. Wang, J. Yang, Q. Wu, O. V. Yazyev, M. Fang, Large magnetoresistance and nonzero Berry phase in the nodal-line semimetal MoO₂, Physical Review B 102, 165133 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
Y. Jian, Q. Wu, M. Yang, Q. Feng, J. Duan, D. Chen, Q. Wang, W. Xiao, Y. Shi, O. V. Yazyev, Y. Yao, Transport signatures of temperature-induced chemical potential shift and Lifshitz transition in layered type-II Weyl semimetal TaIrTe₄, 2D Materials 8, 015020 (2020).
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
A. Bouhon, Q. Wu, R. Slager, H. Weng, O. V. Yazyev, T. Bzdušek, Non-Abelian reciprocal braiding of Weyl points and its manifestation in ZrTe, Nature Physics 16, 1137 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Neupert, Yazyev / Project(s): DD6
R. Fournier, L. Wang, O. V. Yazyev, Q. Wu, Artificial Neural Network Approach to the Analytic Continuation Problem, Physical Review Letters 124, 056401 (2020). [Open Access URL]
Dataset on GitHub.
Group(s): Yazyev / Project(s): DD6
S. S. Zhang, J. Yin, M. Ikhlas, H. Tien, R. Wang, N. Shumiya, G. Chang, S. S. Tsirkin, Y. Shi, C. Yi, Z. Guguchia, H. Li, W. Wang, T. Chang, Z. Wang, Y. Yang, T. Neupert, S. Nakatsuji, M. Z. Hasan, Many-Body Resonance in a Correlated Topological Kagome Antiferromagnet, Physical Review Letters 125, 046401 (2020). [Open Access URL]
Group(s): Neupert / Project(s): DD6
M. Iraola, J. L. Manes, B. Bradlyn, T. Neupert, M. G. Vergniory, S. S. Tsirkin, IrRep: symmetry eigenvalues and irreducible representations of ab initio band structures, arXiv:2009.01764 (2020). [Open Access URL]
Group(s): Neupert / Project(s): DD6
A. Nelson, T. Neupert, T. Bzdušek, A. Alexandradinata, Multicellularity of delicate topological insulators, arXiv:2009.01863 (2020). [Open Access URL]
Group(s): Neupert / Project(s): DD6
Y. Xu, J. Zhao, C. Yi, Q. Wang, Q. Yin, Y. Wang, X. Hu, L. Wang, E. Liu, G. Xu, L. Lu, A. A. Soluyanov, H. Lei, Y. Shi, J. Luo, Z. Chen, Electronic correlations and flattened band in magnetic Weyl semimetal candidate Co₃Sn₂S₂, Nature Communications 11, 3985 (2020). [Open Access URL]
Group(s): Soluyanov / Project(s): DD6
D. Gosálbez-Martínez, G. Autès, O. V. Yazyev, Topological Fermi-arc surface resonances in bcc iron, Physical Review B 102, 035419 (2020). [Open Access URL]
Group(s): Yazyev / Project(s): DD6
Q. Wu, J. Liu, O. V. Yazyev, Landau Levels as a Probe for Band Topology in Graphene Moiré Superlattices, arXiv:2005.10620 (2020). [Open Access URL]
Group(s): Yazyev / Project(s): DD6
B. Salzmann, A. Pulkkinen, B. Hildebrand, T. Jaouen, S. N. Zhang, E. Martino, Q. Li, G. Gu, H. Berger, O. V. Yazyev, A. Akrap, C. Monney, Nature of native atomic defects in ZrTe₅ and their impact on the low-energy electronic structure, Physical Review Materials 4, 114201 (2020). [Open Access URL]
Group(s): Yazyev, Akrap / Project(s): DD6
G. Gatti, D. Gosálbez-Martínez, S. S. Tsirkin, M. Fanciulli, M. Puppin, S. Polishchuk, S. Moser, L. Testa, E. Martino, S. Roth, P. Bugnon, L. Moreschini, A. Bostwick, C. Jozwiak, E. Rotenberg, G. Di Santo, L. Petaccia, I. Vobornik, J. Fujii, J. Wong, D. Jariwala, H. A. Atwater, H. M. Rønnow, M. Chergui, O. V. Yazyev, M. Grioni, A. Crepaldi, Radial Spin Texture of the Weyl Fermions in Chiral Tellurium, Physical Review Letters 125, 216402 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Neupert, Yazyev / Project(s): DD6
M. Novak, S. N. Zhang, F. Orbanić, N. Biliškov, G. Eguchi, S. Paschen, A. Kimura, X. X. Wang, T. Osada, K. Uchida, M. Sato, Q. S. Wu, O. V. Yazyev, I. Kokanović, Highly anisotropic interlayer magnetoresitance in ZrSiS nodal-line Dirac semimetal, Physical Review B 100, 085137 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
G. W. Winkler, S. Singh, A. A. Soluyanov, Topology of triple-point metals, Chinese Physics B 28, 077303 (2019). [Open Access URL]
Group(s): Soluyanov / Project(s): DD6
G. W. Winkler, A. E. Antipov, B. van Heck, A. A. Soluyanov, L. Glazman I, M. Wimmer, R. M. Lutchyn, Unified numerical approach to topological semiconductor-superconductor heterostructures, Physical Review B 99, 245408 (2019). [Open Access URL]
Group(s): Soluyanov / Project(s): DD6
B. Q. Lv, Z. Feng, J. Zhao, N. F. Q. Yuan, A. Zong, K. F. Luo, R. Yu, Y. Huang, V. N. Strocov, A. Chikina, A. A. Soluyanov, N. Gedik, Y. Shi, T. Qian, H. Ding, Observation of multiple types of topological fermions in PdBiSe, Physical Review B 99, 241104 (2019). [Open Access URL]
Group(s): Soluyanov / Project(s): DD6
G. Autès, O. V. Yazyev, Discovery of novel topological materials via high-throughput computational search, 392 (2019).
Group(s): Yazyev / Project(s): DD6
J. Ma, S. M. Nie, C. J. Yi, J. Jandke, T. Shang, M. Y. Yao, M. Naamneh, L. Q. Yan, Y. Sun, A. Chikina, V. N. Strocov, M. Medarde, M. Song, Y. Xiong, G. Xu, W. Wulfhekel, J. Mesot, M. Reticcioli, C. Franchini, C. Mudry, M. Müller, Y. G. Shi, T. Qian, H. Ding, M. Shi, Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd₂As₂, Science Advances 5, eaaw4718 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Medarde, Shi / Project(s): DD6
M. Yao, N. Xu, Q. S. Wu, G. Autès, N. Kumar, V. N. Strocov, N. C. Plumb, M. Radovic, O. V. Yazyev, C. Felser, J. Mesot, M. Shi, Observation of Weyl Nodes in Robust Type-II Weyl Semimetal WP₂, Physical Review Letters 122, 176402 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Shi, Yazyev / Project(s): DD6
A. Tamai, M. Zingl, E. Rozbicki, E. Cappelli, S. Riccò, A. de la Torre, S. McKeown Walker, F. Y. Bruno, P. D. C. King, W. Meevasana, M. Shi, M. Radović, N. C. Plumb, A. S. Gibbs, A. P. Mackenzie, C. Berthod, H. U. R. Strand, M. Kim, A. Georges, F. Baumberger, High-Resolution Photoemission on Sr₂RuO₄ Reveals Correlation-Enhanced Effective Spin-Orbit Coupling and Dominantly Local Self-Energies, Physical Review X 9, 021048 (2019). [Open Access URL]
Group(s): Shi, Georges / Project(s): DD6
C. Fu, M. Yao, X. Chen, L. Z. Maulana, X. Li, J. Yang, K. Imasato, F. Zhu, G. Li, G. Auffermann, U. Burkhardt, W. Schnelle, J. Zhou, T. Zhu, X. Zhao, M. Shi, M. Dressel, A. V. Pronin, G. J. Snyder, C. Felser, Revealing the Intrinsic Electronic Structure of 3D Half-Heusler Thermoelectric Materials by Angle-Resolved Photoemission Spectroscopy, Advanced Science 7, 1902409 (2019). [Open Access URL]
Group(s): Shi / Project(s): DD6
Q. Wu, A. A. Soluyanov, T. Bzdušek, Non-Abelian band topology in noninteracting metals, Science 365, 1273–1277 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Soluyanov, Yazyev / Project(s): DD6
S. Zhang, Q. Wu, Y. Liu, O. V. Yazyev, Magnetoresistance from Fermi Surface Topology, Physical Review B 99, 035142 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Yazyev / Project(s): DD6
Q. Wu, S. Zhang, H. Song, M. Troyer, A. A. Soluyanov, WannierTools: An open-source software package for novel topological materials, Computer Physics Communications 224, 405–416 (2018). [Open Access URL]
Group(s): Soluyanov, Troyer / Project(s): VP1, DD6
X. He, X. Dong, Q. Wu, Z. Zhao, Q. Zhu, A. R. Oganov, Y. Tian, D. Yu, X. Zhou, H. Wang, Predicting the ground-state structure of sodium boride, Physical Review B 97, 100102(R) (2018).
Group(s): Yazyev / Project(s): DD6
N. Xu, Z. W. Wang, A. Magrez, P. Bugnon, H. Berger, C. E. Matt, V. N. Strocov, N. C. Plumb, M. Radovic, E. Pomjakushina, K. Conder, J. H. Dil, J. Mesot, R. Yu, H. Ding, M. Shi, Evidence of Coulomb-interaction-induced Lifshitz transition and robust hybrid Weyl semimetal in T_d-MoTe₂, Physical Review Letters 121, 136401 (2018). [Open Access URL]
Group(s): Shi / Project(s): PP7, DD6
A. P. Weber, P. Rüßmann, N. Xu, S. Muff, M. Fanciulli, A. Magrez, P. Bugnon, H. Berger, N. C. Plumb, M. Shi, S. Blügel, P. Mavropoulos, J. H. Dil, Spin-resolved electronic response to the phase transition in MoTe₂, Physical Review Letters 121, 156401 (2018). [Open Access URL]
Group(s): Shi / Project(s): PP7, DD6
N. Xu, Y. T. Qian, Q. S. Wu, G. Autès, C. E. Matt, B. Q. Lv, M. Y. Yao, V. N. Strocov, E. Pomjakushina, K. Conder, N. C. Plumb, M. Radovic, O. V. Yazyev, T. Qian, H. Ding, J. Mesot, M. Shi, Trivial topological phase of CaAgP and the topological nodal-line transition in CaAg(P_1-xAs_x), Physical Review B 97, 161111(R) (2018). [Open Access URL]
Group(s): Shi, Yazyev / Project(s): PP7, DD6
S. Singh, Q. Wu, C. Yue, A. H. Romero, A. A. Soluyanov, Topological phonons and thermoelectricity in triple-point metals, Physical Review Materials 2, 114204 (2018). [Open Access URL]
Group(s): Soluyanov / Project(s): VP1, DD6
D. Gresch, Q. Wu, G. W. Winkler, R. Häuselmann, M. Troyer, A. A. Soluyanov, Automated construction of symmetrized Wannier-like tight-binding models from ab initio calculations, Physical Review Materials 2, 103805 (2018). [Open Access URL]
Group(s): Soluyanov / Project(s): DD6
D. Gresch, A. A. Soluyanov, Calculating topological invariants with Z2Pack, 63 (2018).
Group(s): Soluyanov / Project(s): VP1, DD6
M. Yao, H. Lee, N. Xu, Y. Wang, J. Ma, O. V. Yazyev, Y. Xiong, M. Shi, G. Aeppli, Y. Soh, Switchable Weyl nodes in topological Kagome ferromagnet Fe₃Sn₂, arXiv:1810.01514 (2018). [Open Access URL]
Group(s): Shi, Yazyev / Project(s): DD6
H. Lee, O. V. Yazyev, Plethora of Coexisting Topological Band Degeneracies in Nonsymmorphic Molecular Crystal OsOF₅, arXiv:1808.06346 (2018). [Open Access URL]
Group(s): Yazyev / Project(s): DD6
M. M. Ugeda, A. Pulkin, S. Tang, H. Ryu, Q. Wu, Y. Zhang, D. Wong, Z. Pedramrazi, A. Martín-Recio, Y. Chen, F. Wang, Z. Shen, S. Mo, O. V. Yazyev, M. F. Crommie, Observation of topologically protected states at crystalline phase boundaries in single-layer WSe₂, Nature Communications 9, 3401 (2018). [Open Access URL]
Group(s): Yazyev / Project(s): DD6
Q. Wu, C. Piveteau, Z. Song, O. V. Yazyev, MgTa₂N₃: A reference Dirac semimetal, Physical Review B 98, 081115(R) (2018). [Open Access URL]
Group(s): Troyer, Yazyev / Project(s): DD6
X. Zhou, Q. Liu, Q. Wu, T. Nummy, H. Li, J. Griffith, S. Parham, J. Waugh, E. Emmanouilidou, B. Shen, O. V. Yazyev, N. Ni, D. Dessau, Coexistence of tunable Weyl points and topological nodal lines in ternary transition-metal telluride TaIrTe₄, Physical Review B 97, 241102(R) (2018). [Open Access URL]
Group(s): Yazyev / Project(s): DD6
J. Du, Z. Lou, S. Zhang, Y. Zhou, B. Xu, Q. Chen, Y. Tang, S. Chen, H. Chen, Q. Zhu, H. Wang, J. Yang, Q. Wu, O. V. Yazyev, M. Fang, Extremely large magnetoresistance in the topologically trivial semimetal α-WP₂, Physical Review B 97, 245101 (2018). [Open Access URL]
Group(s): Yazyev / Project(s): DD6
C. Yi, B. Q. Lv, Q. S. Wu, B. Fu, X. Gao, M. Yang, X. Peng, M. Li, Y. Huang, P. Richard, M. Shi, G. Li, O. V. Yazyev, Y. Shi, T. Qian, H. Ding, Observation of a nodal chain with Dirac surface states in TiB₂, Physical Review B 97, 201107(R) (2018). [Open Access URL]
Group(s): Shi, Yazyev / Project(s): DD6
S. Roth, H. Lee, A. Sterzi, M. Zacchigna, A. Politano, R. Sankar, F. C. Chou, G. Di Santo, L. Petaccia, O. V. Yazyev, A. Crepaldi, Reinvestigating the surface and bulk electronic properties of Cd₃As₂, Physical Review B 97, 165439 (2018).
Group(s): Yazyev / Project(s): DD6
W. Zhang, Q. Wu, O. V. Yazyev, H. Weng, Z. Guo, W. Cheng, G. Chai, Topological phase transitions driven by strain in monolayer tellurium, Physical Review B 98, 115411 (2018).
Group(s): Yazyev / Project(s): DD6
E. Martino, A. Arakcheeva, G. Autès, A. Pisoni, M. D. Bachmann, K. A. Modic, T. Helm, O. V. Yazyev, P. J. W. Moll, L. Forró, S. Katrych, Sr₂Pt_8-xAs: a layered incommensurately modulated metal with saturated resistivity, IUCrJ 5, 470 (2018). [Open Access URL]
Group(s): Yazyev / Project(s): DD6
O. V. Yazyev, Modeling Disordered and Nanostructured Graphene, 1–20 (2018).
Group(s): Yazyev / Project(s): DD6