355 citations · 1.6k across the 24 of their papers we have counts for
26 papers
Stacking-Induced Tuning of a Flat-Band Surface State in NbIrTe4
Jiabin Yu, Mohamed Oudah, Giang Nguyen +12
Ternary layered transition metal dichalcogenides (TMDCs) offer high tunability and access to correlated and topological states. However, like the broader family of layered TMDCs, t…
A Recipe for Flat Bands in Pyrochlore Materials: A Chemist's Perspective
Fatmagül Katmer, Milena Jovanovic, Jennifer Cano +2
Materials in which atoms are arranged in a pyrochlore lattice have found renewed interest, as, at least theoretically, orbitals on those lattices can form flat bands. However, real…
Topological Woodward-Hoffmann classification for cycloadditions in polycyclic aromatic azomethine ylides
Juan Li, Amir Mirzanejad, Wen-Han Dong +13
The study of cycloaddition mechanisms is central to the fabrication of extended sp2 carbon nanostructures. Reaction modeling in this context has focused mostly on putative, energet…
Towards a Topological Classification of Nonadiabaticity in Chemical Reactions
Christopher Daggett, Kaijie Yang, Chaoxing Liu +1
The application of topology, a branch of mathematics, to the study of electronic states in crystalline materials has had a revolutionary impact on the field of condensed matter phy…
Quantum embedding methods for correlated excited states of point defects: Case studies and challenges
Lukas Muechler, Danis I. Badrtdinov, Alexander Hampel +3
A quantitative description of the excited electronic states of point defects and impurities is crucial for understanding materials properties, and possible applications of defects…
Signature of an Ultrafast Photo-Induced Lifshitz Transition in the Nodal-Line Semimetal ZrSiTe
Robert J. Kirby, Lukas Muechler, Sebastian Klemenz +6
Here we report an ultrafast optical spectroscopic study of the nodal-line semimetal ZrSiTe. Our measurements reveal that, converse to other compounds of the family, the sudden inje…
Quasiparticle interference observation of the topologically non-trivial drumhead surface state in ZrSiTe
B. A. Stuart, Seokhwan Choi, Jisun Kim +6
Drumhead surface states that link together loops of nodal lines arise in Dirac nodal-line semimetals as a consequence of the topologically non-trivial band crossings. We used low-t…
Influence of point defects on the electronic and topological properties of monolayer WTe
Lukas Muechler, Wei Hu, Chao Yang +2
In some topological insulators, such as graphene and WTe, band inversion originates from chemical bonding and space group symmetry, in contrast to materials such as BiSe$_3…
Superconducting order parameter of the nodal-line semimetal NaAlSi
Lukas Muechler, Zurab Guguchia, Jean-Christophe Orain +4
Nodal-line semimetals are topologically non-trivial states of matter featuring band crossings along a closed curve, i.e. nodal-line, in momentum space. Through a detailed analysis…
Modular Arithmetic with Nodal Lines: Drumhead Surface States in ZrSiTe
Lukas Muechler, Andreas Topp, Raquel Queiroz +5
We study the electronic structure of the nodal line semimetal ZrSiTe both experimentally and theoretically. We find two different surface states in ZrSiTe - topological drumhead su…
A topological classification of molecules and chemical reactions with a perplectic structure
Lukas Muechler
In this paper, a topological classification of molecules and their chemical reactions is proposed on a single particle level . We consider zero-dimensional electronic Hamiltonians…
Custodial glide symmetry of quantum spin Hall edge modes in WTe monolayer
Seulgi Ok, Lukas Muechler, Domenico Di Sante +3
A monolayer of WTe has been shown to display quantum spin Hall (QSH) edge modes persisting up to 100~K in transport experiments. Based on density-functional theory calculations…
Heusler, Weyl, and Berry
Kaustuv Manna, Yan Sun, Lukas Müchler +2
Heusler materials, initially discovered by Fritz Heusler more than a century ago, have grown into a family of more than 1000 compounds, synthesized from combinations of more than 4…
Prediction of a magnetic Weyl semimetal without spin-orbit coupling and strong anomalous Hall effect in the Heusler compensated ferrimagnet Ti2MnAl
Wujun Shi, Lukas Muechler, Kaustuv Manna +6
We predict a magnetic Weyl semimetal in the inverse Heusler Ti2MnAl, a compensated ferrimagnet with a vanishing net magnetic moment and a Curie temperature of over 650 K. Despite t…
Topological surface Fermi arcs in the magnetic Weyl semimetal CoSnS
Qiunan Xu, Enke Liu, Wujun Shi +4
Very recently, the half-metallic compound CoSnS was predicted to be a magnetic WSM with Weyl points only 60 meV above the Fermi level (). Owing to the low charge c…
From colossal to zero: Controlling the Anomalous Hall Effect in Magnetic Heusler Compounds via Berry Curvature Design
Kaustuv Manna, Lukas Muechler, Ting-Hui Kao +12
Since the discovery of the anomalous Hall effect (AHE), the anomalous Hall conductivity (AHC) has been thought to be zero when there is no net magnetization. However, the recently…
Magnetic Weyl Semimetal in Quasi Two-dimensional Half Metallic CoSnSe
Qiunan Xu, Enke Liu, Wujun Shi +3
We have found a ferromagnetic Weyl semimetal (WSM) in half metallic CoSnSe. The three pairs of Weyl points near Fermi level (E) are derived from nodal lines gapped…
Emerging chiral edge states from the confinement of a magnetic Weyl semimetal in CoSnS
Lukas Muechler, Enke Liu, Jacob Gayles +3
The quantum anomalous Hall effect (QAHE) and magnetic Weyl semimetals (WSMs) are topological states induced by intrinsic magnetic moments and spin-orbit coupling. Their similarity…
Manifestation of the Berry curvature in Co2TiSn Heusler films
Benedikt Ernst, Roshnee Sahoo, Yan Sun +7
Various Co2 based Heusler compounds are predicted to be Weyl materials. These systems with broken symmetry possess a large Berry curvature, and introduce exotic transport propertie…
Extremely high conductivity observed in the triple point topological metal MoP
Nitesh Kumar, Yan Sun, Michael Nicklas +20
Weyl and Dirac fermions have created much attention in condensed matter physics and materials science. Recently, several additional distinct types of fermions have been predicted.…
Tilted Dirac Fermions
Lukas Muechler, Aris Alexandradinata, Titus Neupert +1
We introduce the notion of a band-inverted, topological semimetal in two-dimensional nonsymmorphic crystals. This notion is materialized in the monolayers of MTe (M W, Mo)…
Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model
Cheng-Chien Chen, Lukas Muechler, Roberto Car +2
We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site.…
A large new family of filled skutterudites stabilized by electron count
Huixia Luo, Jason W. Krizan, Lukas Muechler +6
Based on the interplay of theory and experiment, a large new family of filled group 9 (Co, Rh and Ir) skutterudites is designed and synthesized. The new materials fill the empty ca…
3D Dirac semimetals: current materials, design principles and predictions of new materials
Quinn D. Gibson, Leslie M. Schoop, Lukas Muechler +5
Design principles and novel predictions of new 3D Dirac semimetals are presented, along with the context of currently known materials. Current materials include those based on a to…