Results 61 to 70 of about 22,995 (166)

Interface characterization of Co2MnGe/Rh2CuSn Heusler multilayers

, 2013
All-Heusler multilayer structures have been investigated by means of high kinetic x-ray photoelectron spectroscopy and x-ray magnetic circular dichroism, aiming to address the amount of disorder and interface diffusion induced by annealing of the ...
Arena, D. A., Bjoerck, Matts, Dennison, Andrew J. C., Gorgoi, Mihaela, Granroth, Sari, Gunnarsson, Klas, Karis, Olof, Knut, Ronny, Mryasov, Oleg, Mukherjee, Sumanta, Sahoo, Anindita, Sarma, D. D., Svedlindh, Peter, Warnicke, Peter   +13 more
core   +1 more source

Accelerated Screening of Halide Double Perovskites via Hybrid Density Functional Theory and Machine Learning for Thermoelectric Energy Conversion

Advanced Energy and Sustainability Research, EarlyView.
This study integrates hybrid density functional theory, Boltzmann transport theory, and machine learning to accelerate the discovery of lead‐free halide double perovskites for thermoelectric energy conversion. By screening 102 compounds, the authors identify high‐performing candidates such as Rb2GeI6 and Cs2SnBr6, offering a sustainable pathway toward ...
Souraya Goumri‐Said, Ghouti Abdellaoui, Mohammed Benali Kanoun   +2 more
wiley   +1 more source

Thermoelectric performance of p-type half-Heusler alloys ScMSb (M = Ni, Pd, Pt) by ab initio calculations

, 2018
Structural, electronic, and transport properties of ScNiSb, ScPdSb, and ScPtSb were investigated from first principles. Electronic band structures derived within the fully relativistic MBJLDA approach were compared with those obtained from the standard ...
Bilinska, Kaja, Ciesielski, Kamil, Kaczorowski, Dariusz, Winiarski, Maciej J.   +3 more
core   +1 more source

Isoelectronic Alloying in Zintl Phases Mediated the Avoided Crossing and Phonon Softening

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A small amount of Hf doping endows Zr3Ni3Sb4‐Zintl with an unusually low thermal conductivity far exceeding that of similar systems. Two unique phonon mechanisms—avoided crossing and phonon softening—significantly suppress the lattice thermal conductivity. The average thermoelectric figure of merit is improved by 21%.
Zesong Wang, Xiang Wei, Ran Guo, Shun Han, Weihong Gao, Yu‐dong Fu, Zihang Liu   +6 more
wiley   +1 more source

How to enable bulk-like martensitic transformation in epitaxial films

AIP Advances, 2017
The present study is dedicated to the influence of different substrate and buffer layer materials on the martensitic transformation in sputter deposited epitaxial shape memory Heusler alloys.
Marius Wodniok, Niclas Teichert, Lars Helmich, Andreas Hütten   +3 more
doaj   +1 more source

Topological Materials: Weyl Semimetals

, 2016
Topological insulators and topological semimetals are both new classes of quantum materials, which are characterized by surface states induced by the topology of the bulk band structure.
Felser, Claudia, Yan, Binghai
core   +1 more source

Balancing the Competing Effects of Carrier and Phonon Transport Mechanisms to Enhance the Thermoelectric Properties of p‐Type Ti2Zr2−xHf2Nb2Fe5.6Ni2.4Sb8 Double Half‐Heusler Alloys via Cation Vacancy Engineering

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
By designing Zr vacancy‐filled p‐type Ti2Zr2Hf2Nb2Fe5.6Ni2.4Sb8‐based thermoelectric materials, multi‐physics mechanisms and multi‐scale microstructural defects are induced to optimize electrical properties and phonon transport while suppressing the bipolar diffusion effect.
Chaoyue Wang, Mina Zhang, Longjun He, Shengpan Kan, Ruyan Song, Degang Zhao, Jinghao Li, Daoyong Cong, Xianglin Zhou   +8 more
wiley   +1 more source

Half-Heusler-like compounds with wide continuous compositions and tunable p- to n-type semiconducting thermoelectrics

Nature Communications, 2022
Half-and full-Heusler compounds are considered as independent phases with a natural composition gap. Here the authors report the discovery of half-Heusler-like TiRu1+x Sb with wide continuous compositions falling in the gap region and tunable p-to n-type
Zirui Dong, Jun Luo, Chenyang Wang, Ying Jiang, Shihua Tan, Yubo Zhang, Yuri Grin, Zhiyang Yu, Kai Guo, Jiye Zhang, Wenqing Zhang   +10 more
doaj   +1 more source

Finding unprecedentedly low-thermal-conductivity half-Heusler semiconductors via high-throughput materials modeling

, 2014
The lattice thermal conductivity ({\kappa}{\omega}) is a key property for many potential applications of compounds. Discovery of materials with very low or high {\kappa}{\omega} remains an experimental challenge due to high costs and time-consuming ...
Carrete, Jesús, Curtarolo, Stefano, Li, Wu, Mingo, Natalio, Wang, Shidong   +4 more
core   +2 more sources

Fabrication‐Driven Oxidation Pathways in Y/Hf‐Modified High‐Entropy Alloys: From Elemental Segregation to Oxide Homogeneity

Rare Metals, EarlyView.
ABSTRACT This study elucidates the oxidation mechanisms governing Y/Hf‐doped AlCoCrFeNiTi high‐entropy alloys (HEAs) and reveals the pivotal role of fabrication processes in dictating high‐temperature oxidation behavior. We demonstrate that casting and spark plasma sintering (SPS) promote Y/Hf segregation, resulting in heterogeneous oxide formation and
Huaqing Yi, Jiapeng Zheng, Jiawen Zhang, Yi Yang, Binbin He, Wenjun Lu   +5 more
wiley   +1 more source