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Doping properties of Bi, Cr and Ag dopants in thermoelectric and topological materials PbTe and SnTe are analyzed based on density functional theory calculations in the local density approximations and the large supercell method. In…

Materials Science · Physics 2025-06-12 A. Łusakowski , P. Bogusławski , T. Story

Pressurized hydrogen-rich compounds, which could be viewed as precompressed metallic hydrogen, exhibit high superconductivity, thereby providing a viable route toward the discovery of high-temperature superconductors. Of particular interest…

Superconductivity · Physics 2021-11-12 Hongyi Guan , Ying Sun , Hanyu Liu

Excellent thermoelectric performance in the out-of-layer n-doped SnSe has been observed experimentally (Chang et al., Science 360, 778-783 (2018)). However, a first-principles investigation of the dominant scattering mechanisms governing…

Materials Science · Physics 2021-09-29 Anderson S. Chaves , Daniel T. Larson , Efthimios Kaxiras , Alex Antonelli

The recent discovery of excellent thermoelectric properties and topological surface states in SnTe-based compounds has attracted extensive attention in various research areas. Indium doped SnTe is of particular interest because, depending…

Materials Science · Physics 2017-09-26 Z. Li , E. Z. Xu , Y. Losovyj , N. Li , A. P. Chen , B. Swartzentruber , N. Sinitsyn , J. K. Yoo , Q. X. Jia , S. X. Zhang

In this article, we examine the structure and the electronic, optical, and magnetic properties of ZnTe before and after doping with the transition metal Mn. The ab initio calculations of this compound were performed using the full potential…

Materials Science · Physics 2023-10-24 A. Brach , L. Bahmad , S. Benyoussef

Dense pure and doped (Mg1-xAx)B2 samples with A = Na, Ca, Cu, Ag, Zn and Al were synthesized at high pressure - high temperature in a multi anvils press (3.5-6 GPa, 900-1000C) for x up to 0.20. They were studied by x-ray diffraction,…

Superconductivity · Physics 2007-05-23 P. Toulemonde , N. Musolino , H. L. Suo , R. Flukiger

Kondo insulator FeSb$_2$ with large Seebeck coefficient would have potential in thermoelectric applications in cryogenic temperature range if it had not been for large thermal conductivity $\kappa$. Here we studied the influence of…

Strongly Correlated Electrons · Physics 2016-05-06 Kefeng Wang , Rongwei Hu , John Warren , C. Petrovic

The efficient integration of transition metal dichalcogenides (TMDs) into the current electronic device technology requires mastering the techniques of effective tuning of their optoelectronic properties. Specifically, controllable doping…

Magnetic topological materials, in which strong correlations between magnetic and electronic properties of matter, give rise to various exotic phenomena such as anomalous Hall effect (AHE), topological Hall effect (THE), and skyrmion…

Materials Science · Physics 2022-10-26 Achintya Low , Susanta Ghosh , Susmita Changdar , Sayan Routh , Shubham Purwar , S. Thirupathaiah

The influence of magnetic dopants on the electronic and chemical environments in topological insulators (TIs) is a key factor when considering possible spintronic applications based on topological surface state properties. Here we provide…

We investigated the chemical pressure effects on structural and electronic properties of SnTe-based material using partial substitution of Sn by Ag0.5Bi0.5, which results in lattice shrinkage. For Sn1-2x(AgBi)xTe, single-phase…

Nominally 45 nm GaN:Mg/ 5 nm (Ga,Mn)N / 45 nm GaN:Mg trilayers structures prepared by molecular beam epitaxy on GaN-buffered Al2O3 substrates are investigated to verify whether the indirect co-doping by holes from the cladding layers can…

Materials Science · Physics 2021-02-25 Katarzyna Gas , Gerd Kunert , Piotr Dluzewski , Rafal Jakiela , Detlef Hommel , Maciej Sawicki

Two-dimensional materials are of interest for their exotic properties, for example, superconductivity, and highly tunability. Focusing on phonon-mediating superconductivity, one would propose to promote critical temperature by substituting…

Superconductivity · Physics 2024-05-22 Haomin Fei , Ping Cui , Zhenyu Zhang

Doping in transition metal dichalcogenide (TMD) monolayers provides a powerful method to precisely tailor their electronic, optical, and catalytic properties for advanced technological applications, including optoelectronics, catalysis, and…

The increasing demand for improving the high-field (16-22 T) performance of Nb$_3$Sn conductors requires a better understanding of the properties of modern wires much closer to irreversibility field, H$_{Irr}$. In this study we investigated…

We report $^{11}$B-NMR study on Al-doped MgB$_2$ that addresses a possible mechanism for a high superconducting (SC) transition temperature ($T_c$) of $\sim 40$ K in recently discovered MgB$_2$. The result of nuclear spin lattice relaxation…

Superconductivity · Physics 2009-11-07 H. Kotegawa , K. Ishida , Y. Kitaoka , T. Muranaka , N. Nakagawa , H. Takagiwa , J. Akimitsu

We report on infrared (IR) optical experiments on Bi$_2$Te$_3$ and Mn-doped Bi$_2$Te$_3$ epitaxial thin films. In the latter film, dilute Mn doping (4.5\%) of the topologically nontrivial semiconductor host results in…

Materials Science · Physics 2015-06-19 B. C. Chapler , K. W. Post , A. R. Richardella , J. S. Lee , J. Tao , N. Samarth , D. N. Basov

Bi2Te3 based thermoelectric devices typically use a nickel layer as a diffusion barrier to block the diffusion of solder or copper atoms from the electrode into the thermoelectric material. Previous studies have shown degradation in the…

Materials Science · Physics 2012-12-05 Kevin C. Lukas , Weishu Liu , Zhifeng Ren , Cyril P. Opeil

The in-plane London penetration depth, $\Delta\lambda(T)$, was measured using a tunnel diode resonator technique in single crystals of Ba$_{1-x}$K$_{x}$Fe$_{2}$As$_{2}$ with doping levels $x$ ranging from heavily underdoped, $x$=0.16…

Two different ferroelectric materials, Sr$_{0.95}$Ba$_{0.05}$TiO$_3$ and Sr$_{0.985}$Ca$_{0.015}$TiO$_3$, can be turned into polar metals with broken centrosymmetry via electron doping. Systematic substitution of Nb$^{5+}$ for Ti$^{4+}$ has…

Superconductivity · Physics 2022-12-02 Yasuhide Tomioka , Naoki Shirakawa , Isao H. Inoue
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