About

Leslie Schoop is a Professor of Chemistry at Princeton University, specializing in the study of quantum materials that exhibit exotic properties not easily described by conventional condensed matter physics laws. His research focuses on discovering and characterizing materials that can help improve information technology, such as building quantum computers, and understanding new physics phenomena. Schoop's approach combines inorganic chemistry with electronic structure calculations to predict, synthesize, and analyze new materials. His group recognizes patterns in electronic and crystal structures of known materials to identify promising candidates, which are then synthesized using methods like flux growth, vapor transport, and Bridgman growth. The properties of these materials are measured once their crystal structures are confirmed to match theoretical assumptions.

Research topics

• Quantum mechanics
• Condensed matter physics
• Chemistry
• Physics
• Computer Science
• Mathematics
• Business
• Geometry
• Materials science
• Organic chemistry
• Theoretical physics
• Chemical physics

Selected publications

• Identification of an Unreported Structure Type in GdNiSn4 and Its Implications for Materials Prediction

  Open MIND · 2026-03-05

  preprintSenior author

  Crystal structures define how matter is organized at the atomic level. In the realm of crystalline inorganic materials, new structure types are rarely found, and most experimentally-realized structural motifs were established decades ago. Considerable efforts are underway to discover new crystalline inorganic compounds, often aided by artificial intelligence (AI). However, thus far, these methods have not yielded convincing new structure types, but rather substitutional variations of existing compounds. Here we introduce a new structure type adopted by the compound GdNiSn4, discovered the old-fashioned way. We test whether current state-of-the-art AI-based material generation models can predict this material in its correct structure and find that they fail to do so. We carefully analyze the new structure and argue that it can be viewed as a stack of two known structure types. We explore electronic and steric factors underlying its stability and propose strategies to improve future AI-guided materials discovery. Furthermore, we report complex magnetic properties in GdNiSn4, highlighting its potential interest for future studies of unconventional magnetism.

  DOI

• Clustering-enhanced time- and angle-resolved photoemission study of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>LaTe</mml:mi> <mml:mn>3</mml:mn> </mml:msub> </mml:math> : Absence of a photoinduced secondary charge density wave in the electronic structure

  Physical review. B./Physical review. B · 2026-01-28

  articleOpen access

  Optical control offers a compelling route for tailoring material properties on an ultrafast time scale. Ordered states such as charge density waves (CDWs) can be transiently melted by an ultrafast light excitation. This is also the case for the rare-earth tritelluride LaTe3, a prototypical CDW compound. For this material it has recently been reported that the suppression of the primary CDW allows the transient formation of a second CDW, whose wave vector is orthogonal to the primary one. This creates the intriguing scenario where light enables switching between two distinct ordered phases of the material. While the second CDW has so far been observed by structural techniques, it remains an open question how the interplay of the two CDW phases is reflected in the material’s electronic structure. We investigate this via time-and angle-resolved photoemission measurements of LaTe₃. The complex Fermi contour is probed using a FeSuMa analyzer, which records the photoemission intensity of the entire Fermi contour at once. The dynamics revealed by the FeSuMa analyzer are complemented by measurements using a conventional hemispherical electron analyzer. We combine conventional data analysis with k-means clustering, an unsupervised machine learning technique, demonstrating its strong potential for disentangling large datasets. While we do not find any features that cannot be explained by the melting and reestablishment of the primary CDW, distinct dynamics and coherent oscillations are observed in the different branches of the Fermi contour.

  PublisherOA PDFDOI

• Probing the topological protection of edge states in multilayer tungsten ditelluride with the superconducting proximity effect

  Physical Review Research · 2026-01-23

  preprintOpen access

  The topology of <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:msub> <a:mi>WTe</a:mi> <a:mn>2</a:mn> </a:msub> </a:math> , a transition-metal dichalcogenide with large spin-orbit interactions, is thought to combine type II Weyl semimetal and second-order topological insulator (SOTI) character. The SOTI character should endow <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi>WTe</b:mi> <b:mn>2</b:mn> </b:msub> </b:math> multilayer crystals with topologically protected helical states at their hinges, and, indeed, one-dimensional states have been detected thanks to Josephson interferometry. However, the immunity to backscattering conferred to those states by their helical nature has so far not been tested. To probe the topological protection of <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:msub> <c:mi>WTe</c:mi> <c:mn>2</c:mn> </c:msub> </c:math> edge states, we have fabricated superconducting quantum interference devices (SQUIDs) in which the supercurrent through a junction on the crystal edge interferes with the supercurrent through a junction in the bulk of the crystal. We find behaviors ranging from a symmetric SQUID to asymmetric SQUID patterns, including one in which the modulation by magnetic field reveals a sawtoothlike supercurrent versus phase relation for the edge junction, demonstrating that the supercurrent at the edge is carried by ballistic channels over 600 nm, a telltale sign of the SOTI character of multilayer <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:msub> <d:mi>WTe</d:mi> <d:mn>2</d:mn> </d:msub> </d:math> .

  PublisherDOI

• Collinear spin density wave state in distorted square-lattice GdNiSn$_4$

  arXiv (Cornell University) · 2026-03-09

  articleOpen access

  We characterize the magnetic ground state of the newly synthesized lanthanide intermetallic GdNiSn$_4$ via resonant elastic x-ray scattering measurements. This compound forms distorted square nets of Gd that initially order magnetically below 23 K followed by a lower temperature transition at 16 K. Our scattering data identify the ground state order as a single-$q$ incommensurate, collinear order that slides towards a commensurate wave vector above the 16 K transition. Magnetic symmetry analysis combined with azimuthal dependence resolves the ground state magnetic structure as a moment-modulated spin density wave state with Gd moments oriented parallel to the in-plane a-axis. We discuss connections between the observed magnetic order and electronic properties in this square-net compound.

  PublisherOA PDF

• Collinear spin density wave state in distorted square-lattice GdNiSn$_4$

  Open MIND · 2026-03-09

  preprint

  We characterize the magnetic ground state of the newly synthesized lanthanide intermetallic GdNiSn$_4$ via resonant elastic x-ray scattering measurements. This compound forms distorted square nets of Gd that initially order magnetically below 23 K followed by a lower temperature transition at 16 K. Our scattering data identify the ground state order as a single-$q$ incommensurate, collinear order that slides towards a commensurate wave vector above the 16 K transition. Magnetic symmetry analysis combined with azimuthal dependence resolves the ground state magnetic structure as a moment-modulated spin density wave state with Gd moments oriented parallel to the in-plane a-axis. We discuss connections between the observed magnetic order and electronic properties in this square-net compound.

  DOI

• Identification of an Unreported Structure Type in GdNiSn4 and Its Implications for Materials Prediction

  ArXiv.org · 2026-03-05

  articleOpen accessSenior author

  Crystal structures define how matter is organized at the atomic level. In the realm of crystalline inorganic materials, new structure types are rarely found, and most experimentally-realized structural motifs were established decades ago. Considerable efforts are underway to discover new crystalline inorganic compounds, often aided by artificial intelligence (AI). However, thus far, these methods have not yielded convincing new structure types, but rather substitutional variations of existing compounds. Here we introduce a new structure type adopted by the compound GdNiSn4, discovered the old-fashioned way. We test whether current state-of-the-art AI-based material generation models can predict this material in its correct structure and find that they fail to do so. We carefully analyze the new structure and argue that it can be viewed as a stack of two known structure types. We explore electronic and steric factors underlying its stability and propose strategies to improve future AI-guided materials discovery. Furthermore, we report complex magnetic properties in GdNiSn4, highlighting its potential interest for future studies of unconventional magnetism.

  PublisherOA PDF

• Redox-coupled structural distortions in the quasi-1-dimensional Au2M1-xP2 system

  Structural Dynamics · 2025-03-01

  articleOpen accessSenior author

  Recent research in topological materials has predicted and confirmed new quasi-particles, categorized based on electronically distinct states in crystals. At the foundation of these states lies two tuning parameters, namely crystalline symmetry and Fermi- level filling. For example, in the GdSbxTe2-x-δ system, the Sb:Te ratio governs the electron-filling of the band structure, producing a tunable system of structural distortions in its square-net layer. At specific ratios, these distortions retain certain symmetry- protected bands, such as a Dirac node on the Fermi surface, and gap out topologically trivial bands at the Fermi surface. One interest now is to investigate tunable topological structural motifs beyond a square net of atoms. A one-dimensional (1D) chain of atoms realizes similar symmetry protected Dirac nodes as the square-net. The first part of my presentation expands on previously reported Au2MP2 (M=Hg, Tl, Pb, and now Bi), which contains a 1D chain of M atoms. Surprisingly, the series remains isotypic when substituting M across a change of four valence electrons per chain atom. However, at the highest valence electron count we find that Au2BiP2 exhibits polymorphism: in addition to the previously reported orthorhombic phase, a slight distortion generates a closely related, yet unreported, monoclinic structure type, which is found more frequently. Utilizing Density Functional Theory and Chemical Pressure Analysis, we determine that this structural change is favored due to avoidance of a nonsymmorphic band pinning, and its occurrence is predicted to affect low-lying phonon modes. Electronic transport measurements substantiate calculations of the band structures and density of states of these materials, which suggest that the compositions within this series can be tuned to band structure and property design. The second part of my presentation demonstrates that the Au2MP2 system can provide even more tunability for properties design, mediated through redox reactions of as-synthesized compounds. X-ray Photoelectron Spectroscopy as well as X-ray and Electron Diffraction characterizations indicate redox activated removal of the intercalated M atoms in the orthorhombic Au2MP2 system. The deintercalation procedure can only be completed for about 10 at% of M, with the symmetry and size of the resulting supercell depends on the identity of M. Notably, in removal of Pb in Au2PbP2 to Au2Pb0.9P2, space group determination reveals a change from Cmcm to Cm2m, breaking time-reversal symmetry. Finally, electronic transport between the parent and distorted compounds is compared. As a result of these insights, metastability in various structural types may be further understood with respect to their chemical environment.

  PublisherDOI

• Recipe for Flat Bands in Pyrochlore Materials: A Chemist’s Perspective

  Journal of the American Chemical Society · 2025-05-19 · 3 citations

  articleOpen accessSenior authorCorresponding

  Materials in which atoms are arranged in a pyrochlore lattice have found renewed interest, as, at least theoretically, orbitals on that lattice can form flat bands. However, real materials often do not behave according to theoretical models, which is why there has been a dearth of pyrochlore materials exhibiting flat band physics. Here, we examine the conditions under which ideal "pyrochlore bands" can exist in real materials and how to have those close to the Fermi level. We find that the simple model used in the literature does not apply to the bands at the Fermi level in real pyrochlore materials. However, surprisingly, we find that certain oxide compounds that have oxygen orbitals inside the pyrochlore tetrahedra do exhibit near-ideal pyrochlore bands near the Fermi level. We explain this observation by a generalized tight-binding model, including the oxygen orbitals. We further classify all known pyrochlore materials based on their crystal structure, band structure, and chemical characteristics and propose materials to study in future experiments.

  PublisherOA PDFDOI

• Visualizing the internal structure of the charge-density-wave state in CeSbTe

  Nature Communications · 2025-03-28 · 10 citations

  articleOpen access

  Abstract The collective reorganization of electrons into a charge density wave has long served as a textbook example of an ordered phase in condensed matter physics. Two-dimensional square lattices with p electrons are well-suited to the realization of charge density waves, due to the anisotropy of the p orbitals and the resulting one dimensionality of the electronic structure. In spite of a long history of study of charge density waves in square-lattice systems, few reports have recognized the significance of a hidden orbital degree of freedom. The degeneracy of p x and p y electrons may give rise to orbital patterns in real space that endow the charge density wave with additional broken symmetries or unusual order parameters. Here, we use scanning tunneling microscopy to visualize the internal structure of the charge-density-wave state of CeSbTe, which contains Sb square lattices with 5 p electrons. We image atomic-sized, anisotropic lobes of charge density with periodically modulating anisotropy, which we interpret in terms of a superposition of p x and p y bond density waves. Our results support the fact that delocalized p orbitals can reorganize into emergent electronic states of matter.

  PublisherOA PDFDOI

• Tuning Magnetism Through Stoichiometric Potassium Intercalation into VOCl

  Journal of the American Chemical Society · 2025-09-04

  articleSenior authorCorresponding

  Layered van der Waals (vdW) materials, characterized by their interlayer vdW gaps, offer exceptional tunability of magnetic properties via intercalation chemistry. A wide range of magnetic behaviors have been observed in nonmagnetic transition-metal dichalcogenides intercalated with magnetic atoms. Beyond the incorporation of magnetic ions, we propose the controlled alkali-ion intercalation of intrinsic vdW magnets as a strategy to probe and manipulate spin populations and exchange interactions within individual magnetic layers. Unlike conventional solid-state methods typically used for atomic intercalation, this approach depends on postsynthetic, solution-based reactions, which remain relatively underdeveloped and present unique synthetic challenges. Hence, in this work, we demonstrate precise potassium intercalation of VOCl, a layered antiferromagnet with square-like motifs, using stoichiometric organic reductants, potassium naphthalene and potassium pyrene. Our synthetic approach addresses thermodynamic and kinetic challenges via redox-matching reductants and electrolyte-assisted homogenization. Magnetic measurements reveal a continuous evolution from antiferromagnetism (x = 0) to a spin-glass state (0 < x < 1) with magnetic memory and ultimately to ferrimagnetism (x = 1) in KxVOCl (0 ≤ x ≤ 1). Ab initio calculations support the existence of a spin-glass state, stabilized by mixed valence and competing magnetic interactions. Taken all together, this work establishes a programmable intercalation methodology to access metastable phases and tailor magnetic properties, offering new insights into magnetism in layered compounds with complex spin interactions.

  PublisherDOI

Recent grants

• Princeton Center for Complex Materials

  NSF · $17.7M · 2020–2026

• CAREER: QUANTUM MATERIALS IN SQUARE-NET BASED COMPOUNDS

  NSF · $624k · 2022–2027

Frequent coauthors

• Bettina V. Lotsch

  Max Planck Institute for Solid State Research

  132 shared

• R. J. Cava

  92 shared

• Claudia Felser

  52 shared

• Shiming Lei

  50 shared

• Ratnadwip Singha

  47 shared

• Maia G. Vergniory

  Donostia International Physics Center

  44 shared

• Jürgen Nuß

  41 shared

• Sebastian Klemenz

  34 shared

Labs

• Schoop LabPI

Awards & honors

• 2022 NSF CAREER Award
• 2021 Office of Naval Research Young Investigator Program, Aw…
• 2021 Sloan Fellowship
• 2020 Packard Fellowship in Science and Engineering
• 2019 EPiQS Materials Synthesis Investigator – Gordon and Bet…