Články / Articles (RAM) Domovská stránka kolekce Zobrazit statistiky

Procházet
Přihlásit se k zasílání denních e-mailů o novinkách RSS Feed RSS Feed RSS Feed
Záznamy kolekce (řazeno podle Datum zaslání v sestupně pořadí): 1 až 20 z 66
Novák, Matyáš , Vackář, Jiří , Cimrman, Robert , Šipr, Ondřej
Adaptive Anderson mixing for electronic structure calculations

Convergence rates of iterative algorithms for solving non-linear fixed-point (or root-finding) problems depend on the quality of the solution guess done in each iteration, which is used as the starting value in the next step. To avoid instabilities and oscillations, that guess is u...

Novák, Petr , Nedvědová, Lucie , Kozák, Tomáš , Šotová, Petra , Bláhová, Olga , Jansa, Zdeněk , Medlín, Rostislav , Netrvalová, Marie , Minár, Jan
Investigation of carrier transport in ZnO and ZnO:Al thin films sputtered at different oxygen conditions

Undoped and doped zinc oxide in film form is used in a wide range of applications. Its electrical and optical properties depend on the oxide conditions during preparation, which are influenced by many deposition parameters. The aim of this work was to experimentally investigate...

Salvetr, Pavel , Školáková, Andrea , Kotous, Jakub , Drahokoupil, Jan , Melzer, Daniel , Jansa, Zdeněk , Donik, Črtomir , Gokhman, Aleksandr , Nový, Zbyšek
Effect of Double-Step and Strain-Assisted Tempering on Properties of Medium-Carbon Steel

The present work aimed to study the properties of medium-carbon steel during tempering treatment and to present the strength increase of medium-carbon spring steels by strain-assisted tempering (SAT). The effect of double-step tempering and double-step tempering with rotary swaging, also known&#x...

Očenášek, Jan , Minár, Jan , Alcalá, Jorge
Dynamics of lattice disorder in perovskite materials, polarization nanoclusters and ferroelectric domain wall structures

The nexus between classic ferroelectricity and the structure of perovskite materials hinges on the concept of lattice disorder. Although the ordered perovskites display short-range displacements of the central cations around their equilibrium points, the lattice disorder dynamically unfolds to generat...

Nafday, Dhani , Richter, Christine , Heckmann, Olivier , Wang, Weimin , Mariot, Jean-Michel , Djukic, Uros , Vobornik, Ivana , Lefevre, Patrick , Taleb-Ibrahimi, Amina , Bertran, Franco̧is , Rault, Julien , Nicolai, Laurent Christophe , Ong, Chin Shen , Thunström, Patrik , Hricovini, Karol , Minár, Jan , Di Marco, Igor
Electronic structure of Bi nanolines on InAs(100)

Self-assembled nanolines are attractive to build the technological devices of next generation, but characterizing their electronic properties is often difficult to achieve. In this work we employ angle-resolved photoemission spectroscopy and density functional theory to clarify the electronic structure...

Šipr, Ondřej , Mankovsky, Sergiy , Vackář, Jiří , Ebert, Hubert , Marmodoro, Alberto
Temperature-induced changes in the magnetism of Laves phase rare-earth-iron intermetallics by ab initio calculations

Laves RFe 2 compounds, where R is a rare earth, exhibit technologically relevant properties associated with the interplay between their lattice geometry and magnetism. We apply ab initio calculations to explore how magnetic properties of Fe in RFe 2 systems vary with temperature. W...

Volný, Jiří , Charvátová, Kateřina , Veis, Martin , Holý, Václav , Vondráček, Martin , Honolka, Jan , Duverger-Nédellec, Elen , Schusser, Jakub , Dsouza, Sunil Wilfred , Minár, Jan , Pientka, James M. , Marmodoro, Alberto , Výborný, Karel , Uhlířová, Klára
Single-crystal studies and electronic structure investigation of the room-temperature semiconductor NaMnAs

Synthesis of single-crystalline NaMnAs is reported, and we confirm its high quality by x-ray photoemission spectra. Magnetometry results are consistent with previous findings of antiferromagnetic order. The electronic structure was further studied using optical transmittance and by theoretical modeling...

Khan, Saleem Ayaz , Šipr, Ondřej , Vackář, Jiří , Minár, Jan
Dependence of the Electronic Structure of β-Si6 - zAlzOzN8 - z on the (Al,O) Concentration z and on the Temperature

beta-Si6-zAlzOzN8-z is a prominent example of systems suitable as hosts for creating materials for light-emitting diodes (LEDs). In this work, the electronic structure of a series of semiordered and disordered beta-Si6-zAlzOzN8-z systems is investigated by means of ab initio calculations, using&#...

Kurleto, R. , Fidrysiak, M. , Nicolai, Laurent Christophe , Minár, Jan , Rosmus, M. , Walczak, Ł. , Tejeda, A. , Rault, J.E. , Bertran, F. , Kądzielawa, A.P. , Legut, D. , Gnida, D. , Kaczorowski, D. , Kissner, K. , Reinert, F. , Spałek, J. , Starowicz, P.
Photoemission signature of momentum-dependent hybridization in CeCoIn5

Hybridization between f electrons and conduction bands (c-f hybridization) is a driving force for many unusual phenomena. To provide insight into it, systematic studies of CeCoIn 5 heavy fermion superconductor have been performed by angle-resolved photoemission spectroscopy (ARPES) in a large...

Redka, David , Winter, Jan , Gadelmeier, Christian , Djuranovic, Alexander , Glatzel, Uwe , Minár, Jan , Huber, Heinz Paul
Control of ultrafast laser ablation efficiency by stress confinement due to strong electron localization in high-entropy alloys

In the context of current state of the art, understanding the laser ablation efficiency decrease for pulse durations High-entropy alloy; CrMnFeCoNi; Ultrafast laser ablation; Pulse duration; Ablation efficiency; Stress confinementexceeding the mechanical relaxation time of a few ps remains a pend...

Djelid, K. , Seddik, T. , Merabiha, O. , Batouche, M. , Khenata, R. , Bouhemadou, A. , Khan, Saleem Ayaz , Bin Omran, S.
Effects of alloying chalcopyrite CuTlSe2 with Na on the electronic structure and thermoelectric coefficients: DFT investigation

the chalcopyrite alloys Cu1–xNaxTlSe2, with x = 0.00, 0.25, and 0.50 were studied through density functional theory calculations. The Wu–Cohen generalized gradient and the Tran–Blaha modified Becke–Johnson approximations have been employed to describe the exchange–correlation potential. Energy band structu...

Zaheer, Ayesha , Zahra, Syedah Afsheen , Iqbal, Muhammad Z. , Mahmood, Asif , Khan, Saleem Ayaz , Rizwan, Syed
Nickel-adsorbed two-dimensional Nb2C MXene for enhanced energy storage applications

Owing to the tremendous energy storage capacity of two-dimensional transition metal carbides (MXenes), they have been efficiently utilized as a promising candidate in the field of super-capacitors. The energy storage capacity of MXenes can be further enhanced using metal dopants. Herein, we&...

Takegami, Daisuke , Nicolai, Laurent Christophe , Utsumi, Yuki , Meléndez-Sans, Anna , Balatsky, Daria A. , Knight, Cariad-A. , Dalton, Connor , Huang, Shao-Lun , Chen, Chi-Sheng , Zhao, Li , Komarek, Alexander C. , Liao, Yen-Fa , Tsuei, Ku-Ding , Minár, Jan , Tjeng, Liu Hao
Direct imaging of valence orbitals using hard x-ray photoelectron spectroscopy

It was hypothesized already more than 40 years ago that photoelectron spectroscopy should in principle be able to image atomic orbitals. If this can be made to work for orbitals in crystalline solids, one would have literally a different view on the electronic structure of...

Kremer, Geoffroy , Maklar, Julian , Nicolai, Laurent Christophe , Nicholson, Christopher W. , Yue, Changming , Silva, Caio , Werner, Philipp , Dil, J. Hugo , Krempaský, Juraj , Springholz, Gunther , Ernstorfer, Ralph , Minár, Jan , Rettig, Laurenz , Monney, Claude
Field-induced ultrafast modulation of Rashba coupling at room temperature in ferroelectric alpha-GeTe(111)

Rashba materials have appeared as an ideal playground for spin-to-charge conversion in prototype spintronics devices. Among them, α-GeTe(111) is a non-centrosymmetric ferroelectric semiconductor for which a strong spin-orbit interaction gives rise to giant Rashba coupling. Its room temperature ferroelectri...

Křenek, Tomáš , Vála, Lukáš , Medlín, Rostislav , Pola, Josef , Jandová, Věra , Vavruňková, Veronika , Mikysek, Petr , Bělský, Petr , Koštejn, Martin
A novel route of colloidal chemistry: room temperature reactive interactions between titanium monoxide and silicon monoxide sols produced by laser ablation in liquid resulting in the formation of titanium disilicide

In spite of advanced research on functional colloidal inorganic nanoparticles and their reactivity, room temperature reactive interactions between two different colloids have remained challenging so far. Laser ablation of titanium monoxide and silicon monoxide in ethanol and water allows the gene...

Marmodoro, Alberto , Mankovsky, Sergiy , Ebert, Hubert , Minár, Jan , Šipr, Ondřej
Electric field control of magnons in magnetic thin films: Ab initio predictions for two-dimensional metallic heterostructures

We explore possibilities for control of magnons in two-dimensional heterostructures by an external electric field acting across a dielectric barrier. By performing ab initio calculations for a Fe monolayer and Fe bilayer, both suspended in vacuum and deposited on Cu(001), we demonstrate ...

Jung, Jongkeun , Kang, Sungwoo , Nicolai, Laurent Christophe , Hong, Jisook , Minár, Jan , Song, Inkyung , Kyung, Wonshik , Cho, Soohyun , Kim, Beomseo , Denlinger, Jonathan D. , Cadete Santos Aires, Francisco José , Ehret, Eric , Ross, Philip , Shim, Jihoon , Nemšák, Slavomir , Noh, Doyoung , Han, Seungwu , Kim, Changyoung , Mun, Bongjin Simon
Understanding the Role of Electronic Effects in CO on the Pt-Sn Alloy Surface via Band Structure Measurements

Using angle-resolved photoemission spectroscopy, we show direct evidence for charge transfer between adsorbed molecules and metal substrates, i.e., chemisorption of CO on Pt(111) and Pt-Sn/Pt(111) 2 x 2 surfaces. The observed band structures show a unique signature of charge transfer as ...

Chaudhary, Payal , Dubey, Krishna Kant , Shukla, Gaurav K. , Singh, Sanjay , Sadhukhan, Surasree , Kanungo, Sudipta , Jena, Ajit K. , Lee, S.-C. , Bhattacharjee, S. , Minár, Jan , Dsouza, Sunil Wilfred
Role of chemical disorder in tuning the Weyl points in vanadium doped Co2 TiSn

The lack of time-reversal symmetry and Weyl fermions give exotic transport properties to Co-based Heusler alloys. In the present study, we have investigated the role of chemical disorder on the variation of Weyl points in Co2Ti1−xVxSn magnetic Weyl semimetal candidate. We employ the...

Ono, Ryota , Marmodoro, Alberto , Schusser, Jakub , Nakata, Yoshitaka , Schwier, Eike F. , Braun, Jürgen , Ebert, Hubert , Minár, Jan , Sakamoto, Kazuyuki , Krüger, Peter
Surface band characters of the Weyl semimetal candidate material MoTe2 revealed by one-step angle-resolved photoemission theory

The layered two-dimensional material MoTe2 in the T-d crystal phase is a semimetal which has theoretically been predicted to possess topologically nontrivial bands corresponding to Weyl fermions. Clear experimental evidence by angle-resolved photoemission spectroscopy (ARPES) is, however, lacking, which&#x...

Fatima, Mahjabeen , Zahra, Syedah Afsheen , Khan, Saleem Ayaz , Akinwande, Deji , Minár, Jan , Rizwan, Syed
Experimental and Computational Analysis of MnO2@V2C-MXene for Enhanced Energy Storage

Herein, we studied the novel and emerging group of 2D materials namely MXene along with its nanocomposites. This work entails detailed experimental as well as computational study of the electrochemical behavior of vanadium carbide (V2CTx) MXene and MnO2-V2C nanocomposite with varying percent...

Záznamy kolekce (řazeno podle Datum zaslání v sestupně pořadí): 1 až 20 z 66