Results 51 to 60 of about 1,799,085 (182)

Establishing the carrier scattering phase diagram for ZrNiSn-based half-Heusler thermoelectric materials [PDF]

Nature Communications, 2020
Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but there can ...
Q. Ren, C. Fu, Q. Qiu, Shengnan Dai, Zheyuan Liu, T. Masuda, S. Asai, M. Hagihala, Sanghyun Lee, Shuki Torri, T. Kamiyama, Lunhua He, Xin Tong, C. Felser, David J. Singh, T. Zhu, Jiong Yang, Jie Ma   +17 more
semanticscholar   +1 more source

Ferromagnetic half-metallicity in half-Heusler AuMnSn:Te Alloy

Materials Research Express, 2020
Identifying a strategy for beneficial band-engineering is vital for the optimization of spintronic materials. In this study, we demonstrate the beneficial effects of electron doping on ferromagnetic (FM) half-Heusler AuMnSn _1− _x Te _x (0 ≤  x  ≤ 1 ...
T C Chibueze, C E Ekuma, A T Raji, D P Rai, C M I Okoye   +4 more
doaj   +1 more source

Screening and Fabrication of Half-Heusler phases for thermoelectric applications

, 2008
Half-Heusler phases have gained recently much interest as thermoelectric materials. Screening of possible systems was performed by ab-initio simulation using VASP-software. The energy-versus-Volume (E(V)) curves were calculated and calibrated. For TiCoSb,
Motoyama, Yuichiro, Wunderlich, Wilfried
core   +1 more source

Design and discovery of a novel Half-Heusler transparent hole conductor made of all-metallic heavy elements [PDF]

, 2014
Metallic conductors that are optically transparent represent a rare breed of generally contraindicated physical properties that are nevertheless critically needed for application where both functionalities are crucial.
Mason, Thomas O., Nagaraja, Arpun, Yan, Feng, Yu, Liping, Yu, Yonggang, Zhang, Xiuwen, Zunger, Alex   +6 more
core   +1 more source

A half-metallic half-Heusler alloy having the largest atomic-like magnetic moment at optimized lattice constant

AIP Advances, 2016
For half-Heusler alloys, the general formula is XYZ, where X can be a transition or alkali metal element, Y is another transition metal element, typically Mn or Cr, and Z is a group IV element or a pnicitide.
R. L. Zhang, L. Damewood, C. Y. Fong, L. H. Yang, R. W. Peng, C. Felser   +5 more
doaj   +1 more source

Exploring the mechanical, vibrational optoelectronic, and thermoelectric properties of novel half-Heusler FeTaX (X = P, As): a first-principles study

RSC Advances
In this study, the density functional theory (DFT) was employed to study the structural, electronic, optical, and thermoelectric characteristics of half-Heusler (HH) FeTaX (X = P or As).
T. A. Geleta, D. Behera, Ramesh Sharma, M. Al-Anazy, El Sayed Yousef, Vipul Srivastava, A. Moayad   +6 more
semanticscholar   +1 more source

Search for Thermoelectrics with High Figure of Merit in half-Heusler compounds with multinary substitution

, 2017
In order to improve the thermoelectric performance of TiCoSb we have substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se equally at Sb site.
Choudhary, Mukesh K., Ravindran, P
core   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators

, 2010
Using first-principles calculations within density functional theory, we explore the feasibility of converting ternary half-Heusler compounds into a new class of three-dimensional topological insulators (3DTI).
D. J. Singh, Di Xiao, G. Malcolm Stocks, Jun Wen, P. Blaha, Wanxiang Feng, Wenguang Zhu, Xing-Qiu Chen, Yugui Yao, Zhenyu Zhang   +9 more
core   +1 more source

Better Band Gaps with Asymptotically Corrected Local Exchange Potentials [PDF]

, 2016
We formulate a spin-polarized van Leeuwen and Baerends (vLB) correction to the local density approximation (LDA) exchange potential [Phys. Rev. A 49, 2421 (1994)] that enforces the ionization potential (IP) theorem following Stein et al. [Phys. Rev. Lett.
Harbola, Manoj, Hemanadhan, M., Johnson, D., Johnson, Duane, Mookerjee, Abhijit, Signh, Prashant   +5 more
core   +5 more sources