Related papers: Screening potential topological insulators in half…
We present theoretical and experimental results exploring a half-Heusler compound TmPdSb with unusual band order and metallic surface states. Typically, the half-Heusler systems exhibit topological features in a semimetallic state, and…
Half-Heusler compounds exhibit a remarkable variety of emergent properties such as heavy-fermion behaviour, unconventional superconductivity and magnetism. Several of these compounds have been predicted to host topologically non-trivial…
Heusler compounds have always attracted a great deal of attention from researchers thanks to a wealth of interesting properties for technological applications. They are intermetallic ductile compounds, and some of them have been found to be…
Predicting the critical temperature $T_c$ of new superconductors is a notoriously difficult task, even for electron-phonon paired superconductors for which the theory is relatively well understood. Early attempts by McMillan and Allen and…
We predict a new class of three dimensional topological insulators in thallium-based III-V-VI$_2$ ternary chalcogenides, including TlBiQ$_2$ and TlSbQ$_2$ (Q = Te, Se and S). These topological insulators have robust and simple surface…
We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A full \textit{ab initio} scheme for calculating hybrid…
Topological insulators [1-6] is a new quantum phase of matter with exotic properties such as dissipationless transport and protection against Anderson localization [7]. These new states of quantum matter could be one of the missing links…
After the decade-long exhaustive study of binary high-Tc superconducting hydrides, the frontier of this stimulating research field has recently shifted to ternary hydrides with much expanded conformational space in search of coveted…
The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
Recent research on compressed binary hydrides have unveiled the potential for achieving superconductivity at near-room-temperature. Nevertheless, the available decision-making procedures standing behind the selection of constituent elements…
Improvements in the thermoelectric properties of Half-Heusler materials have been achieved by means of a micrometer-scale phase separation that increases the phonon scattering and reduces the lattice thermal conductivity. A detailed study…
Topological superconductivity is an exotic quantum phenomenon with coupled nontrivial topological order and superconductivity together. A direct idea for producing topological superconductors is to create superconductivity based on the well…
Nanostructuring has spurred a revival in the field of direct thermoelectric energy conversion. Nanograined materials can now be synthesized with higher figures of merit (ZT) than the bulk counterparts. This leads to increased conversion…
Higher-order topological insulators have attracted significant interest in recent years. However, identifying a universal topological invariant capable of characterizing higher-order topology remains challenging. Here, we propose a…
Accurately evaluating configurational integrals for dense solids remains a central and difficult challenge in the statistical mechanics of condensed systems. Here, we present a novel tensor network approach that reformulates the…
In engineered quantum systems, the Hamiltonian is often not completely known and needs to be determined experimentally with accuracy and efficiency. We show that this may be done at temperatures that are greater than the characteristic…
It is well known that the high electric conductivity, large Seebeck coefficient, and low thermal conductivity are preferred for enhancing thermoelectric performance, but unfortunately, these properties are strongly inter-correlated with no…
Topological insulators (TIs) are a new quantum state of matter which have gapless surface states inside the bulk energy gap. Starting with the discovery of two dimensional TIs, the HgTe-based quantum wells, many new topological materials…
Topological Insulators (TI) are materials with novel quantum states which exhibit a bulk insulating gap while the edge/surface is conducting. This has been extensively explored in several Half-Heusler (HH) compounds hosting the exotic TI…
Electronic topological phases of matter, characterized by robust boundary states derived from topologically nontrivial bulk states, are pivotal for next-generation electronic devices. However, understanding their complex quantum phases,…