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Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelectric material BiCuSeO. By choosing proper hybrid functional…

Materials Science · Physics 2017-06-28 D. D. Fan , H. J. Liu , L. Cheng , J. Zhang , P. H. Jiang , J. Wei , J. H. Liang , J. Shi

We report the synthesis and systematic studies of a new layered ternary telluride TaPdTe5 with quasi-one-dimensional PdTe2 chains. This compound crystalizes in a layered orthorhombic structure with space group Cmcm. Analysis of its curved…

BaFe2Se3 is a potential superconductor material exhibiting transition at 11 K and ambient pressure. Here we extended the structural and performed electrical resistivity measurements on this compound up to 51 GPa and 20 GPa, respectively, in…

In this study, we calculate the $T$=300 K scattering and thermoelectric transport properties of rhombohedral GeTe using first-principles modeling. The room-temperature phase of GeTe has a layered structure, with cross-plane and in-plane…

Materials Science · Physics 2019-08-07 Vahid Askarpour , Jesse Maassen

Several small-bandgap semiconductors are now known to have protected metallic surface states as a consequence of the topology of the bulk electron wavefunctions. The known "topological insulators" with this behavior include the important…

Mesoscale and Nanoscale Physics · Physics 2013-01-01 Pouyan Ghaemi , Roger Mong , Joel E. Moore

Monolayer transition metal dichalcogenides in the distorted octahedral 1T$^\prime$ phase exhibit a large bulk bandgap and gapless boundary states, which is an asset in the ongoing quest for topological electronics. In single-layer tungsten…

Mesoscale and Nanoscale Physics · Physics 2021-06-24 G. Tkachov

The layered transition metal dichalcogenide compounds 1T-TaS2 and 4H-TaS2 are well known for their exotic properties, which include charge density wave, superconductivity, Mott transition, etc., and lately quantum spin liquid. Here, we…

We report the discovery of Ce$_3$Ir$_4$Ge$_{13}$, a new Remeika phase compound with a complex array of structural, electronic, and magnetic properties. Our single crystal x-ray diffraction measurements show that Ce$_3$Ir$_4$Ge$_{13}$ forms…

Strongly Correlated Electrons · Physics 2020-09-14 A. M. Hallas , C. L. Huang , Binod K. Rai , A. Weiland , G. T. McCandless , Julia Y. Chan , J. Beare , G. M. Luke , E. Morosan

We study the conversion of bulk Se and Te, consisting of intertwined a helices, to structurally very dissimilar, atomically thin two-dimensional (2D) layers of these elements. Our ab initio calculations reveal that previously unknown and…

Mesoscale and Nanoscale Physics · Physics 2018-08-29 Dan Liu , Xianqing Lin , David Tomanek

The single layer of Zirconium pentatelluride (ZrTe5) has been predicted to be a large-gap two-dimensional (2D) topological insulator, which has attracted particular attention in the topological phase transitions and potential device…

Mesoscale and Nanoscale Physics · Physics 2018-08-29 Fangdong Tang , Peipei Wang , Peng Wang , Yuan Gan , Le Wang , Wei Zhang , Liyuan Zhang

The electronic and phonon transport properties of quaternary tetradymite BiSbSeTe2 are investigated using first-principles approach and Boltzmann transport theory. Unlike the binary counterpart Bi2Te3, we obtain a pair of Rashba splitting…

Materials Science · Physics 2018-08-01 Z. Z. Zhou , H. J. Liu , D. D. Fan , B. Y. Zhao , C. Y. Sheng , G. H. Cao , S. Huang

Platinum diselenide (PtSe2) is an emerging two-dimensional (2D) transition metal dichalcogenide known for its excellent electrical and optical properties, along with remarkable air stability. For PtSe2-based electronic devices,…

Materials Science · Physics 2025-06-19 Bubunu Biswal , Abinash Tripathy , Renu Yadav , Abhishek Misra

We report a thermal transport study of IrSbSe, which crystallizes in a noncentrosymmetric cubic structure with the $P2_13$ space group and shows a narrow-gap semiconducting behavior. The large discrepancy between the activation energy for…

Strongly Correlated Electrons · Physics 2022-11-08 Yu Liu , Milinda Abeykoon , Niraj Aryal , David Graf , Zhixiang Hu , Weiguo Yin , C. Petrovic

The requirement for large bulk resistivity in topological insulators has led to the design of complex ternary and quaternary phases with balanced donor and acceptor levels. A common feature of the optimized phases is that they lie close to…

Transition metal dichalcogenides have been the subject of numerous studies addressing technological applications and fundamental issues. Single-layer PtSe2 is a semiconductor with a trivial bandgap, in contrast, its counterpart with 25% of…

Materials Science · Physics 2023-04-17 F. Crasto de Lima , B. Focassio , R. H. Miwa , A. Fazzio

We show that the interlayer transport in a two-dimensional superconductor can reveal a peak in the temperature as well as the magnetic field dependence of the resistivity near the superconducting transition. The magnetotransport experiment…

Superconductivity · Physics 2009-11-07 P. Szabo , P. Samuely , J. Kacmarcik , A. G. M. Jansen , A. Briggs , A. Lafond , A. Meerschaut

Here we report further investigation on the thermodynamic, and transport properties, and the first assessment of theoretical calculations for the BiS2-layered Bi3O2S3 superconductor. The polycrystalline sample is synthesized with the…

Superconductivity · Physics 2015-06-23 L. Li , D. Parker , P. Babkevich , L. Yang , H. M. Ronnow , A. S. Sefat

We report on a study of electronic transport in semi-metallic Bi$_{0.96}$Sb$_{0.04}$. At zero field, the system is a very dilute Fermi liquid displaying a T$^{2}$ resistivity with an enhanced prefactor. Quantum oscillations in resistivity…

Strongly Correlated Electrons · Physics 2009-11-13 A. Banerjee , B. Fauque , K. Izawa , A. Miyake , I. Sheikin , J. Flouquet , B. Lenoir , K. Behnia

Single crystal synchrotron X-ray diffraction as a function of temperature and pressure has revealed a complex biphase mixture in superconducting FeSe. Based on our experimental results we construct a phase diagram where structural behavior…

Superconductivity · Physics 2017-08-02 V. Svitlyk , M. Raba , V. Dmitriev , P. Rodiere , P. Toulemonde , D. Chernyshov , M. Mezouar

The demand for new alkali metal chalcogenide materials is continuously increasing due to their potential applications across various technological fields. Recently, a new compound, $\text{Na}_6\text{Ge}_2\text{Se}_6$, was computationally…

Materials Science · Physics 2024-08-01 Qi Zhang , Amitava Choudhury , Aleksandr Chernatynskiy