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Collection's Items (Sorted by Submit Date in Descending order): 1 to 11 of 11
Azam, Sikander A. , Mahboob, Mamoona , Ali, Sobia , Rani, Malika , Irfan, Muhammad , Wang, Xiaotian , Khan, Saleem Ayaz , Kanoun, Mohammed Benali , Goumri-Said, Souraya
Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4

We are attempting to study the properties of new materials based on Diamond-like semiconductors (DLS). Due to broad collection of useful properties, DLS are exciting materials to study. The novel substances Li2MnGeS4 and Li2CoSnS4 result from using a rational and guileless design approa...

Rienks, Emile D.L. , Wimmer, Sebastian , Sánchez-Barriga, Jaime , Caha, Ondřej , Mandal, Partha Sarathi , Růžička, J. , Ney, Andreas , Steiner, Hubert , Volobuev, Valentine V. , Groiß, Heiko , Albu, Mihaela , Kothleitner, Gerald , Michalička, Jan , Khan, Saleem Ayaz , Minár, Jan , Ebert, Hubert , Bauer, Guenther , Freyse, F. , Varykhalov, Andrei Yu , Rader, Oliver , Springholz, Gunther
Large magnetic gap at the Dirac point in Bi2Te3/MnBi2Te4 heterostructures

Magnetically doped topological insulators enable the quantum anomalous Hall efect (QAHE), which provides quantized edge states for lossless charge-transport applications. The edge states are hosted by a magnetic energy gap at the Dirac point, but hitherto all attempts to observe this gap...

Azam, Sikander A. , Goumri-Said, Souraya , Khan, Saleem Ayaz , Ozisik, Haci , Deligöz, Engin , Kanoun, Mohammed Benali , Khan, Wilayat
Electronic structure and related optical, thermoelectric and dynamical properties of Lilianite-type Pb7Bi4Se13 : Ab-initio and Boltzmann transport theory

The electronic, optical, thermoelectric, and dynamic properties of Pb7Bi4Se13 have been investigated using first principles calculations. The existence of heavy elements, bismuth and lead, has required to consider the spin–orbit coupling as implemented in the second variational procedure. It was ...

Azam, Sikander A. , Goumri-Said, Souraya , Khan, Saleem Ayaz , Kanoun, Mohammed Benali
Electronic, optical and thermoelectric properties of new metal-rich homological selenides with palladium–indium: Density functional theory and Boltzmann transport model

We reported first principles calculations of electronic and related optical and thermoelectric properties of two metal-rich palladium–indium selenides Pd5InSe and Pd8In2Se. Both selenides are found to be metallic and their densities of states at the Fermi energy, N (EF), showed an overlap&#x...

Goumri-Said, Souraya , Azam, Sikander A. , Khan, Saleem Ayaz , Kanoun, Mohammed Benali
Density functional theory within spin-orbit coupling and hubbard correction for investigation of optoelectronic properties of the orthorhombic perovskite LaPdO3

To apprehend the electronic structures and related physical quantities such as Fermi surface, and optical properties of the perovskite LaPdO3 system, we employed the full potential linearized augmented plane wave method. The existence of rare-earth (La) and the actinide element (Pd) has ...

Nicolai, Laurent Christophe , Mariot, J-M , Djukic, U. , Wang, W. , Heckmann, O. , Richter, M. C. , Kanski, J. , Leandersson, M. , Balasubramanian, T. , Sadowski, J. , Braun, J. , Ebert, Hubert , Vobornik, I. , Fujii, J. , Minár, Jan , Hricovini, Karol
Bi ultra-thin crystalline films on InAs(111)A and B substrates: a combined core-level and valence-band angle-resolved and dichroic photoemission study

Fedchenko, Olena V. , Medjanik, Katerina , Chernov, Sergey V. , Kutnyakhov, Dmytro , Ellguth, Martin , Oelsner, Andreas , Schönhense, Benedikt , Peixoto, Thiago R.F. , Lutz, Peter , Min, Chul-hee , Reinert, Friedrich T. , Däster, Simon , Acremann, Yves M. , Viefhaus, Jens , Wurth, Wilfried , Braun, Jürgen , Minár, Jan , Ebert, Hubert , Elmers, Hans Joachim , Schönhense, Gerd
4D texture of circular dichroism in soft-x-ray photoemission from tungsten

Photoemission-intensity distributions I-RCP/LCP (E-B, k) measured for right- and left-circularly polarized soft x-rays revealed a large circular dichroism in angular distribution (CDAD) in the 4D parameter space (E-B binding energy, k momentum vector). Full-field k-imaging combined with time-of-flight ...

Takegami, D. , Nicolai, Laurent Christophe , Koethe, T. C. , Kasinathan, Deepa , Kuo, Changyang , Liao, Yenfa , Tsuei, Kuding , Panaccione, Giancarlo C. , Offi, Francesco , Monaco, Giulio , Brookes, Nicholas B. , Minár, Jan , Tjeng, Liu Hao
Valence band hard x-ray photoelectron spectroscopy on transition-metal oxides containing rare-earth elementsValence band hard x-ray photoelectron spectroscopy on transition-metal oxides containing rare-earth elements

Here we report on our study to quantitatively describe the intensities of the valence band hard x-ray photoemission spectra (HAXPES) of a rare earth element containing 3d transition metal oxides. Using LaCoO3 as a representative model compound, we compared the experimental data to ...

Lidig, Christian , Minár, Jan , Braun, Jürgen , Ebert, Hubert , Gloskovskiǐ, Andrei V. , Kronenberg, Alexander , Kläui, Mathias , Jourdan, Martin
Signature of a highly spin polarized resonance state at Co2MnSi (0 0 1)/Ag (0 0 1) interfaces

We investigated interfaces of halfmetallic Co 2 MnSi(1 0 0) Heusler thin films with Ag(1 0 0), Cr(1 0 0), Cu and Al layers relevant for spin valves by high energy x-ray photoemission spectroscopy (HAXPES). Experiments on Co 2 MnSi samples with an Ag(1 0 0) interface&...

Azam, Sikander A. , Irfan, Muhammad Faisal , Abbas, Zeesham , Khan, Saleem Ayaz , Kityk, Iwan V. , Kanwal, Tanzila , Sohail, Mohammad , Muhammad, Shabbir , Al-Sehemi, Abdullah Ghodran M.
Effect of S and Se replacement on electronic and thermoelectric features of BaCu2GeQ4 (Q ¼ S, Se) chalcogenide crystals

For the Quaternary Chalcogenides BaCu2GeQ4 (Q ¼ S, Se) optoelectronic, structural and transport properties are explored using accurate all electrons FPeLAPW [full potential linearized augmented plane wave] method. The lattice constants calculated theoretically are established to be in fine agreement&#...

Subhan, Fazle , Azam, Sikander A. , Khan, Gulzar , Irfan, Muhammad Faisal , Muhammad, Shabbir , Al-Sehemi, Abdullah Ghodran M. , Naqib, S. H. , Khenata, Rabah , Khan, Saleem Ayaz , Kityk, Iwan V. , Amin, Bin
Elastic and optoelectronic properties of CaTa2O6 compounds: Cubic and orthorhombic phases

Using first principles density functional theory (DFT) simulations, the structural, electronic, optical and elastic properties of CaTa2O6 oxide for cubic and orthorhombic phases are studied by highly accurate (FPLAPW) method within the GGA+U approximation. The calculated lattice parameters are consist...

Collection's Items (Sorted by Submit Date in Descending order): 1 to 11 of 11