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Related papers: Thermoelectric phase diagram of the SrTiO3-SrNbO3 …

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SrTiO3 is an incipient ferroelectric that is believed to exhibit a prototype displacive, soft mode ferroelectric transition when subjected to mechanical stress or alloying. We use high-angle annular dark-field imaging in scanning…

Materials Science · Physics 2020-08-25 Salva Salmani-Rezaie , Kaveh Ahadi , William M. Strickland , Susanne Stemmer

Superconducting strontium titanate (STO) is in the spotlight as a low carrier concentration semiconductor in proximity to polar order. Its superconducting pairing mechanism poses an open fundamental challenge, which may be resolved by…

Superconductivity · Physics 2019-08-20 Chloe Herrera , Ilya Sochnikov

Following the recent surge of interest in n-doped strontium titanate as a possible blue light emitter, a time-resolved photoluminescence analysis was performed on nominally pure, Nb-doped and oxygen-deficient single-crystal SrTiO3 samples.…

Materials Science · Physics 2008-02-21 A. Rubano , D. Paparo , M. Radovic , A. Sambri , F. Miletto Granozio , U. Scotti di Uccio , L. Marrucci

The effective mass is one of the main factors for enlarging the Seebeck coefficient and electronic conductivity of SrTiO3-based thermoelectric materials [1,2]. The goal of this paper is to clarify, how superlattices can change the effective…

Materials Science · Physics 2008-08-14 Wilfried Wunderlich , Hiromichi Ohta , Kunichi Koumoto

The dielectric function method for superconductivity has been applied to SrTiO$_{3}$ accounting for the non-parabolic dispersion of charge carriers in the conduction band and for the dispersion of optical phonons based on density functional…

Superconductivity · Physics 2019-12-09 S. N. Klimin , J. Tempere , J. T. Devreese , J. He , C. Franchini , G. Kresse

We have carried out systematic temperature-dependent neutron diffraction measurements in conjunction with dielectric spectroscopy from 6 to 300 K for sodium niobate based compounds (1-x) NaNbO3 -xBaTiO3 (NNBTx). The dielectric constant is…

Materials Science · Physics 2018-05-23 S. K. Mishra , Mrinal Jauhari , R. Mittal , P. S. R. Krishna , V. R. Reddy , S. L. Chaplot

We report the thermoelectric properties (Seebeck coefficient, thermal conductivity, and electrical resistivity) of lightly doped single crystals of (001)-oriented SrTiO3 (STO). Hall effect measurements show that electron doping around 10^-5…

Strongly Correlated Electrons · Physics 2012-11-08 P. L. Bach , V. Leborán , V. Pardo , A. S. Botana , D. Baldomir , F. Rivadulla

The optimization of secondary phase in thermoelectric(TE) materials can {helps in improvisation of material's efficiency}. Being a potential {contender} for lower temperature TE application, bismuth telluride(Bi$_2$Te$_3$) nanoparticles…

Materials Science · Physics 2020-07-27 Vishal Thakur , Kanika Upadhyay , Ramanpreet Kaur , Navdeep Goyal , Sanjeev Gautam

We discuss and present search strategies for finding new thermoelectric compositions based on first principles electronic structure and transport calculations. We illustrate them by application to a search for potential n-type oxide…

Materials Science · Physics 2016-02-17 Guangzong Xing , Jifeng Sun , Khuong P. Ong , Xiaofeng Fan , Weitao Zheng , David J. Singh

Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…

Materials Science · Physics 2022-10-26 Lorenzo Gigli , Max Veit , Michele Kotiuga , Giovanni Pizzi , Nicola Marzari , Michele Ceriotti

The coexistence of multiple structural phases and field induced short-range to long-range order transition in ferroelectric materials, leads to a strong electrocaloric effect (ECE) and electrical energy storage density (Wrec) in the…

The transport dynamics of itinerant charge carriers and their interactions with the environment. For two-dimensional oxide thermoelectrics, predominantly represented by doped SrTiO3-based superlattices, reduced spatial dimensions and…

SrTiO$_3$ is an incipient ferroelectric on the verge of a polar instability, which is avoided at low temperatures by quantum fluctuations. Within this unusual quantum paraelectric phase, superconductivity persists despite extremely dilute…

Superconductivity · Physics 2019-09-12 Ryan Russell , Noah Ratcliff , Kaveh Ahadi , Lianyang Dong , Susanne Stemmer , John W. Harter

We investigate the structural and magnetic phase transitions in EuTi1-xNbxO3 with synchrotron powder X-ray diffraction (XRD), resonant ultrasound spectroscopy (RUS), and magnetization measurements. Upon Nb-doping, the Pm-3m to I4/mcm…

For topological insulators and topological crystalline insulators (TCIs), their exotic surface states are promising for fundamental condensed matter physics research as well as future electronics such as low-dissipation electronics and…

Materials Science · Physics 2016-08-16 Jie Shen , John M. Woods , Y. Xie , M. D. Morales-Acosta , Judy J. Cha

We introduce an open-source, fully atomistic second-principles interatomic potential for lead titanate (PbTiO3), a benchmark ferroelectric material known for its strong polarization and hightemperature phase transitions. While density…

Materials Science · Physics 2025-10-10 Louis Bastogne , Philippe Ghosez

The correlated couple of electrical and thermal property is the challenge to realize a substantial leap in thermoelectric materials.Synthesis of semiconductor and metal composites is a significant and versatile design strategy to optimize…

Applied Physics · Physics 2018-05-23 Wenwen Zheng , Peng Bi , Fengming Liu , Yong Liu , Jing Shi , Rui Xiong , Ziyu Wang

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…

Tin-chalcogenides SnX (X = Te, Se and S) have been arousing research interest due to their thermoelectric physical properties. The two-dimensional (2D) counterparts, which are expected to enhance the property, nevertheless, have not been…

Materials Science · Physics 2019-01-15 Baojuan Dong , Zhenhai Wang , Nguyen T. Hung , Artem R. Oganov , Teng Yang , Riichiro Saito , Zhidong Zhang

The average and local structures of the (PbTe)1-x(PbS)x system of thermoelectric materials has been studied using the Rietveld and atomic pair distribution function (PDF) methods. Samples with 0:25 < x are macroscopically phase separated.…

Materials Science · Physics 2007-05-23 H. Lin , E. S. Bozin , S. J. L. Billinge , J. Androulakis , C. H. Lin , M. G. Kanatzidis