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Solid-state thermoelectric devices are currently used in applications ranging from thermocouple sensors to power generators in satellites, to portable air-conditioners and refrigerators. With the ever-rising demand throughout the world for…

Materials Science · Physics 2014-01-07 Zhiting Tian , Sangyeop Lee , Gang Chen

At low energy scales charge transport in the insulating Si:P is dominated by activated hopping between the localized donor electron states. Thus, theoretical models for a disordered system with electron-electron interaction are appropriate…

Disordered Systems and Neural Networks · Physics 2008-03-03 Elvira Ritz , Martin Dressel

Dilute magnetic semiconductors (DMS) are nonmagnetic semiconductors doped with magnetic transition metals. The recently discovered DMS material (Ba$_{1-x}$K$_{x}$)(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ offers a unique and versatile control of…

Materials Science · Physics 2018-03-28 M. A. Surmach , B. J. Chen Z. Deng , C. Q. Jin , J. K. Glasbrenner , I. I. Mazin , A. Ivanov , D. S. Inosov

Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…

We report superconductivity induced in films of the non-superconducting, antiferromagnetic parent material FeTe by low temperature oxygen incorporation in a reversible manner. X-ray absorption shows that oxygen doping changes the nominal Fe…

Superconductivity · Physics 2010-07-26 Yuefeng Nie , Donald Telesca , Joseph I. Budnick , Boris Sinkovic , Barrett O. Wells

We study the thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations. New results are presented for the pair distribution functions, the equation of state, the Hugoniot curve, and the reflectivity. We…

Plasma Physics · Physics 2012-04-16 Bastian Holst , Ronald Redmer , Michael P. Desjarlais

This work explores the unique character of strongly correlated systems, specifically Mott-insulators, in the context of battery electrode materials. The study investigates the correlation between the proposed chemical potential evolution…

Advancement of optoelectronic and high-power devices is tied to the development of wide band gap materials with excellent transport properties. However, bipolar doping (n-type and p-type doping) and realizing high carrier density while…

A series of 122 phase BaFe$_{2-x}$Ni$_x$As$_2$ ($x$ = 0, 0.055, 0.096, 0.18, 0.23) single crystals were grown by self flux method and a dome-like Ni doping dependence of superconducting transition temperature is discovered. The transition…

Superconductivity · Physics 2009-02-27 L. J. Li , Q. B. Wang , Y. K. Luo , H. Chen , Q. Tao , Y. K. Li , X. Lin , M. He , Z. W. Zhu , G. H. Cao , Z. A. Xu

When the electron density of highly crystalline thin films is tuned by chemical doping or ionic liq- uid gating, interesting effects appear including unconventional superconductivity, sizeable spin-orbit coupling, competition with…

Mesoscale and Nanoscale Physics · Physics 2018-12-19 G. Dezi , N. Scopigno , S. Caprara , M. Grilli

The critical temperature of an underdoped cuprate superconductor is limited by its phase stiffness $\rho$. In this Letter we argue that the dependence of $\rho$ on doping $x$ should be understood as a consequence of deleterious competition…

Strongly Correlated Electrons · Physics 2015-05-13 Wei-Cheng Lee , Jairo Sinova , A. A. Burkov , Yogesh Joglekar , A. H. MacDonald

When electron doped, the layered transition metal nitrides ${\cal T}$NCl (${\cal T}$ = group IVB transition metal ion) become impressive superconductors with critical temperature T$_c$= 15-26K. Here we take the most studied member, ZrNCl,…

Superconductivity · Physics 2015-06-22 Antia S. Botana , Warren E. Pickett

We theoretically study the properties of thermal conductance in a normal-insulator-superconductor junction of silicene for both thin and thick barrier limit. We show that while thermal conductance displays the conventional exponential…

Mesoscale and Nanoscale Physics · Physics 2016-11-02 Ganesh C. Paul , Surajit Sarkar , Arijit Saha

Employing the four-band tight-binding model we study theoretically the doping dependence of the spin response in the normal state of novel Fe-based pnictide superconductors. We show that the commensurate spin density wave (SDW) transition…

Superconductivity · Physics 2008-09-11 M. M. Korshunov , I. Eremin

The hybrid halide perovskites, the very performant compounds in photovoltaic applications, possess large Seebeck coefficient and low thermal conductivity making them potentially interesting high figure of merit ($ZT$) materials. For this…

Combining experiments with first principles calculations, we show that site-specific doping of Mn into SrTiO3 has a decisive influence on the dielectric properties of these doped systems. We find that phonon contributions to the dielectric…

Failures attributed to hydrogen embrittlement are a major concern for metals so a better understanding of damage micro-mechanisms and hydrogen diffusion within the metal is needed. Local concentrations depend on transport phenomena…

Chemical Physics · Physics 2020-08-03 A. Díaz , I. I. Cuesta , E. Martínez-Pañeda , J. M. Alegre

We report measurements of the diffusion of atomic hydrogen in single crystalline VO2 micro/nanobeams by direct exposure to atomic hydrogen, without catalyst. The atomic hydrogen is generated by a hot filament, and the doping process takes…

Active thermal management requires advances in thermal switching materials, whose thermal conductivity responds to external stimuli. The electric field, as one of the most convenient and effective stimuli, has shown great potential in…

Materials Science · Physics 2025-11-20 Fanghao Zhang , Guanchun Rui , Yujie Quan , Shantal Adajian , Matthew Delmont , Q. M. Zhang , Bolin Liao

Networks of semiconducting single-walled carbon nanotubes (SWNTs) are a promising material for thermoelectric energy harvesting due to their mechanical flexibility, solution processability, high Seebeck coefficients and high electrical…