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A detailed high pressure investigation is carried out using x-ray diffraction, Raman spectroscopy and low temperature resistivity measurements on hexagonal ZrSe$_{2}$ having an excess of 3 at.\% Zr. Structural studies show that the sample…

Strongly Correlated Electrons · Physics 2022-09-21 Bishnupada Ghosh , Mrinmay Sahu , Debabrata Samanta , Pinku Saha , Anshuman Mandal , Goutam Dev Mukherjee

An effective tight-binding (TB) Hamiltonian for monolayer GeSnH$_2$ is proposed which has an inversion-asymmetric honeycomb structure. The low-energy band structure of our TB model agrees very well with previous {\it ab initio} calculations…

Mesoscale and Nanoscale Physics · Physics 2019-03-27 Zahra Aslani , Esmaeil Taghizadeh Sisakht , Farhad Fazileh , H. Ghorbanfekr-Kalashami , F. M. Peeters

We calculate the electronic structure of the narrow gap semiconductors PbTe, SnTe and GeTe in the cubic phase using density functional theory (DFT) and the $G_0W_0$ method. Within DFT, we show that the band ordering obtained with a…

Mesoscale and Nanoscale Physics · Physics 2020-10-21 Pablo Aguado-Puente , Stephen Fahy , Myrta Grüning

Transport and magnetic studies of PbTaSe$_2$ under pressure suggest existence of two superconducting phases with the low temperature phase boundary at $\sim 0.25$ GPa that is defined by a very sharp, first order, phase transition. The first…

We study the effects of temperature on the band structure of the Bi$_2$Se$_3$ family of topological insulators using first-principles methods. Increasing temperature drives these materials towards the normal state, with similar…

Materials Science · Physics 2016-11-30 Bartomeu Monserrat , David Vanderbilt

We report a comprehensive investigation of the pressure effects on the magnetotransport properties of the topological material ZrTe5 within 1 to 8 GPa pressure range. With increasing pressure, the characteristic peak (Tp) in its electrical…

High pressure in-situ synchrotron X-ray diffraction experiments were performed on Ag2Te up to 42.6 GPa at room temperature and four phases were identified. Phase I ({\beta}-Ag2Te) transformed into phase II at 2.4 GPa, and phase III and…

Materials Science · Physics 2015-05-01 Zhao Zhao , Shibing Wang , Haijun Zhang , Wendy L. Mao

We study the electronic structure change of yttrium trihydride $\mathrm{YH_3}$ by applying a hydrostatic pressure. At zero pressure, $\mathrm{YH_3}$ has the structure with energy favored symmetry group $P\bar{3}c1$ (165). From first…

Materials Science · Physics 2019-08-23 Feihu Liu , Lina Wu

Our first-principles computations show that the ground state of PbTiO$_3$ under hydrostatic pressure transforms discontinuously from $P4mm$ to $R3c$ at 9 GPa. Spontaneous polarization decreases with increasing pressure so that the $R3c$…

Materials Science · Physics 2007-05-23 J. Frantti , Y. Fujioka , R. M. Nieminen

The centrosymmetric halide perovskites undergo a continuous phase transition from a normal insulator to a topological insulator at the critical value of strain. Contrarily, in noncentrosymmetric halide perovskites, this phase transition is…

Materials Science · Physics 2023-02-28 Ankita Phutela , Sajjan Shoeran , Saswata Bhattacharya

We report studies of in-situ x-ray diffraction (XRD) and electronic properties on the single crystalline of Fe1.05Te compound under high pressure. The results demonstrated that the sample undergoes a pressure-induced lattice collapse in…

Superconductivity · Physics 2009-12-01 Chao Zhang , Wei Yi , Liling Sun , Wei Lu , Xiaoli Dong , Ligang Bai , Jing Liu , Genfu Chen , Nanlin Wang , Zhongxian Zhao

We report a detailed study of the transport coefficients of $\beta$-Bi$_4$I$_4$ quasi-one dimensional topological insulator. Electrical resistivity, thermoelectric power, thermal conductivity and Hall coefficient measurements are consistent…

Strongly Correlated Electrons · Physics 2017-07-05 A. Pisoni , R. Gaal , A. Zeugner , V. Falkowski , A. Isaeva , H. Huppertz , G. Autes , O. V. Yazyev , L. Forro

We have demonstrated a pressure-induced phase transition from a low-Tc phase to a high-Tc phase in a single crystal of the superconductor LaO0.5F0.5BiSe2. The high-Tc phase appears at 2.16 GPa and the maximum superconducting transition…

We report experimental evidence for pressure instabilities in the model multiferroic BiFeO3 and namely reveal two structural phase transitions around 3 GPa and 10 GPa by using diffraction and far-infrared spectroscopy at a synchrotron…

Materials Science · Physics 2011-07-26 R. Haumont , P. Bouvier , A. Pashkin , K. Rabia , S. Frank , B. Dkhil , W. A. Crichton , C. A. Kuntscher , J. Kreisel

Electronic states under pressure exhibit unconventional spin and charge dynamics that provide a powerful route to uncover exotic phases in quantum materials. Here, we present the structural, magnetic, and electronic evolution of…

Bi2Se3 is a prototypical topological insulator which has a small band gap (~0.3 eV) and topologically protected conducting surface states. This material exhibits quite strong thermoelectric effects. Here we show in a mechanically exfoliated…

Based on the first-principles band structure calculations, we investigate the effects of hydrostatic pressure on the conventional insulator (CI) Sb_2Se_3 and predict that it undergoes a topological quantum phase transition from a CI to a…

Mesoscale and Nanoscale Physics · Physics 2014-01-07 Wei Li , Xin-Yuan Wei , Jian-Xin Zhu , C. S. Ting , Yan Chen

Two-dimensional layered semiconductor black phosphorus (BP), a promising pressure induced Dirac system as predicted by band structure calculations, has been studied by $^{31}$P-nuclear magnetic resonance. Band calculations have been also…

Materials Science · Physics 2020-04-29 T. Fujii , Y. Nakai , Y. Akahama , K. Ueda , T. Mito

We report a pressure-induced enhancement of the superconducting transition temperature (Tc) in a non-centrosymmetric (NCS) compound, LaPtGe. With pressure, till 3 GPa, we observed a modest enhancement of the Tc with a rate of 0.071 K/GPa.…

Phase transitions in metal halide perovskites triggered by external provocations produce significantly different material properties, providing a prodigious opportunity for a comprehensive applications. In the present study, the first…