Results 51 to 60 of about 5,301 (199)

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

LEAD: Literature Enhanced Ab Initio Discovery of Nitride Dusting Layers for Enhanced Tunnel Magnetoresistance and Lower Resistance Magnetic Tunnel Junctions

Advanced Materials, EarlyView.
Magnetic tunnel junctions (MTJs) using MgO tunnel barriers face challenges of high resistance‐area product and low tunnel magnetoresistance (TMR). To discover alternative materials, Literature Enhanced Ab initio Discovery (LEAD) is developed. The LEAD‐predicted materials are theoretically evaluated, showing that MTJs with dusting of ScN or TiN on ...
Sabiq Islam, William S. Rogers, Chen‐Yu Hu, Ming‐Yuan Song, Xinyu Bao, Shehrin Sayed, Jean Anne C. Incorvia   +6 more
wiley   +1 more source

Observation of unusual topological surface states in half-Heusler compounds LnPtBi (Ln=Lu, Y)

Nature Communications, 2016
Heusler compounds have been predicted to host topological order with other emergent properties, which yet awaits for experimental evidence. Here, Liu et al. report a direct observation of topological surface states on half-Heusler compounds LnPtBi.
Z. K. Liu, L. X. Yang, S.-C. Wu, C. Shekhar, J. Jiang, H. F. Yang, Y. Zhang, S.-K. Mo, Z. Hussain, B. Yan, C. Felser, Y. L. Chen   +11 more
doaj   +1 more source

Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys

, 2002
Using the full-potential screened Korringa-Kohn-Rostoker method we study the full-Heusler alloys based on Co, Fe, Rh and Ru. We show that many of these compounds show a half-metallic behavior, however in contrast to the half-Heusler alloys the energy gap
A. Deb, A. Matsushita, A.F. Tatarchenko, A.W. Carbonari, B. Drittler, B. Ravel, C.S. Lue, D. Brown, D. Jung, D. Ristoiu, E. Kulatov, F.Y. Yang, G. Lehman, G.A. Prinz, G.A. Prinz, G.A. Wijs, I. Galanakis, I. Galanakis, I. Galanakis, I. Galanakis, I. Galanakis, J. Giapintzakis, J. Kübler, J. Kübler, J.C. Suits, K.E.H.M. Hanssen, K.E.H.M. Hanssen, K.R.A. Ziebeck, L.P. Bouckaert, M. Gotoh, M. Pugacheva, M.N. Kirillova, M.P. Raphael, N. Papanikolaou, N. Papanikolaou, N. Stefanou, P. H. Dederichs, P. Lloyd, P. Lloyd, P. Turban, P.G. van Engen, P.J. Brown, P.J. Webster, R. Weht, R.A. de Groot, R.A. Dunlap, S. Fujii, S. Fujii, S. Ishida, S. Ishida, S. Ishida, S. Ishida, S. Jha, S. Picozzi, S. Plogmann, S.A. Wolf, S.H. Vosko, S.J. Jenkins, S.J. Jenkins, S.J. Youn, S.V. Halilov, T. Ambrose, T. Ambrose, T. Kanomata, U. Geiersbach, V.N. Antonov, W. Pendl, Jr., W. van Roy, X. Wang, Y. Nishino, Ye Feng   +70 more
core   +1 more source

From the Discovery of the Giant Magnetocaloric Effect to the Development of High‐Power‐Density Systems

Advanced Materials Technologies, EarlyView.
The article overviews past and current efforts on caloric materials and systems, highlighting the contributions of Ames National Laboratory to the field. Solid‐state caloric heat pumping is an innovative method that can be implemented in a wide range of cooling and heating applications.
Agata Czernuszewicz, Yaroslav Mudryk, Jun Cui, Lucas Griffith, Duane D. Johnson, Julie Slaughter   +5 more
wiley   +1 more source

Half-Heusler Topological Insulators: A First-Principle Study with the Tran-Blaha Modified Becke-Johnson Density Functional

, 2010
We systematically investigate the topological band structures of half-Heusler compounds using first-principles calculations. The modified Becke-Johnson exchange potential together with local density approximation for the correlation potential (MBJLDA ...
D. J. Singh, Di Xiao, P. Blaha, P. Villars, Wanxiang Feng, Ying Zhang, Yugui Yao   +6 more
core   +1 more source

Smart Closed‐Loop Systems in Personalized Healthcare: Advances and Outlook

Advanced Materials Technologies, EarlyView.
A smart closed‐loop e‐textile integrates multimodal sensing, onboard processing, wireless communication, and wearable power to enable real‐time physiological/biochemical monitoring and feedback‐controlled therapy. ABSTRACT Smart textiles represent a revolutionary frontier in healthcare, seamlessly blending fabric and advanced technologies to create ...
Safoora Khosravi, Sang Won Lee, Mohammad Abrar Uddin, Sina Hassanpoor, Neha Suvindran, Katherine Le, Harun Arkaz, Harishkumar Narayana, Saeid Soltanian, Danial Khorsandi, Negar Hosseinzadeh Kouchehbaghi, Taeil Kim, Yangzhi Zhu   +12 more
wiley   +1 more source

First-principle investigation of structural, electronic and magnetic properties of Co2VIn and CoVIn Heusler compounds

AIP Advances, 2017
Investigation of the structural, electronic and magnetic properties of full-Heusler Co2VIn as well as half-Heusler CoVIn Cobalt based Heusler compounds using density functional theory (DFT) leads to the general conclusion that Co2VIn and CoVIn are half ...
Muthui Zipporah, Pathak Rohit, Musembi Robinson, Mwabora Julius, Skomski Ralph, Kashyap Arti   +5 more
doaj   +1 more source

A new diluted magnetic semiconductor: The half-metallic ferromagnet CoTi(1-x)FexSb

, 2006
Half-Heusler compounds with 18 valence electrons are semi-conducting. It will be shown that doping with electrons results in half-metallic ferromagnets, similar to the case of diluted semi-conductors.
Balke, Benjamin, Fecher, Gerhard H., Felser, Claudia, Kroth, Kristian   +3 more
core   +1 more source

Additive Manufacturing of Ni‐Based Thermoelectric Materials for Waste Heat Recovery

Advanced Materials Technologies, EarlyView.
Thermoelectric generators convert waste heat into electricity but are constrained by conventional fabrication. Here, laser powder bed fusion enables direct printing of customised n‐type Cu60Ni40 and p‐type Ni90Cr10 legs. The assembled module achieves 0.8% efficiency at ΔT = 419 K, demonstrating scalable additive manufacturing of eco‐friendly, design ...
Karolin Amstein, Aayush Dobhal, Heiko Reith, Ran He, Julia Kristin Hufenbach, Kornelius Nielsch, Pingjun Ying   +6 more
wiley   +1 more source