Lighter Alkali Hydride and Deruteride. Electronic Properties of Pure Solids

Islam, A. K. M. A.

doi:10.1002/pssb.2221800102

Cited by 35 publications

(23 citation statements)

References 94 publications

(128 reference statements)

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“…The L3 and L4 components at binding energies of 56.0 and 56.8 eV correspond to Li atoms interacting with the buffer layer and Li atoms in between the graphene sheet and the buffer layer, respectively. The additional component L5 which was not observed in the earlier study [15] is assigned to the Li that interacts with the H and forms LiH [24].…”

Section: Resultsmentioning

confidence: 52%

Studies of Li intercalation of hydrogenated graphene on SiC(0001)

et al. 2012

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The effects of Li deposition on hydrogenated bilayer graphene on SiC(0001) samples, i.e. on quasi-freestanding bilayer graphene samples is studied using low energy electron microscopy, micro-low-energy electron diffraction and photoelectron spectroscopy. After deposition, some Li atoms form islands on the surface creating defects that are observed to disappear after annealing. Some other Li atoms are found to penetrate through the bilayer graphene sample and into the interface where H already resides. This is revealed by the existence of shifted components, related to H-SiC and Li-SiC bonding, in recorded core level spectra. The Dirac point is found to exhibit a rigid shift to about 1.25 eV below the Fermi level, indicating strong electron doping of the graphene by the deposited Li.

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Section: Resultsmentioning

confidence: 52%

Studies of Li intercalation of hydrogenated graphene on SiC(0001)

et al. 2012

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“…The polar part of the bonding energy is expressed by way of V 3 = (E sM -E sH )/2, where E sM and E sH are solid state s-levels of metal and H, respectively. 29 The other necessary input parameters are available in the literature, [1][2][3][4][5][6][7][8][9][10][27][28][29][30] and are also obtained through our calculations (See Refs. 24, 25, this work).…”

Section: Resultsmentioning

confidence: 99%

Electronic Principles of Some Trends in Properties of Metallic Hydrides

Ivanović

Novaković

Colognesi

et al. 2010

Int. J. Mod. Phys. B

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Due to their extensive present, important and versatile potential applications, metal hydrides (MH) are among the most investigated solid-state systems. Theoretical, numerical and experimental studies have provided a considerable knowledge about their structure and properties, but in spite of that, the basic electronic principles of various interactions present in MH have not yet been completely resolved. Even in the simplest MH, i.e. alkali hydrides (Alk-H), some trends in physical properties, . Int. J. Mod. Phys. B 2010.24:703-710. Downloaded from www.worldscientific.com by ROYAL INSTITUTE OF TECHNOLOGY on 02/02/15. For personal use only. 704 N. Ivanović et al.and especially their deviations, are not well understood. Similar doubts exist for the alkaline-earth hydride (AlkE-H) series, and are even more pronounced for complex systems, like transition metaldoped AlkE-H, alanates and borohydrides. This work is an attempt of explaining some trends in the physical properties of Alk-H and AlkE-H, employing the Bader analysis of the charge distribution topology evaluated by first-principle all-electron calculations. These results are related to some variables commonly used in the explanation of experimental and calculated results, and are also accompanied by simple tight-binding estimations. Such an approach provides a valuable insight in the characteristics of M-H and H-H interactions in these hydrides, and their possible changes along with external parameters, like temperature, pressure, defect or impurity introduction. The knowledge of these basic interactions and processes taking place in simple MH are essential for the design and optimisation of complex MH-systems interesting for practical hydrogen storage applications.

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“…Our approach relies on sufficiently accurate experimental data on these ECs, a shortage of which restricts the accuracy of the comments regarding anharmonic properties of the compounds under study. As noted in [3,311, LiH is a promising material for laser induced fusion work due to its high hydrogen contents [4]. As such experiments involve the propagation of shock waves in the materials a knowledge of the elastic properties would be of utmost importance.…”

Section: Resultsmentioning

confidence: 99%

Crystal anharmonicity in Li(H,D) and Na(H,D) systems

Islam

Haque

Azad

1994

Physica Status Solidi (b)

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The reliability of a recently developed potential model is tested by extending the study to various anharmonic properties, e.g., third and fourth-order elastic constants, Griineisen parameters, and the pressure derivatives of second-order elastic constants of hydrides and deuterides of lithium and sodium. A comparison of the calculated properties with the limited experimental results and other theoretical estimates gives an indication of the applicability of the derived potential in thc study of crystal anharmonicity. However, the need for further experimental data is stressed in order to judge clearly the reliability of the present calculations for all the compounds.

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Lighter Alkali Hydride and Deruteride. Electronic Properties of Pure Solids

Cited by 35 publications

References 94 publications

Studies of Li intercalation of hydrogenated graphene on SiC(0001)

Studies of Li intercalation of hydrogenated graphene on SiC(0001)

Electronic Principles of Some Trends in Properties of Metallic Hydrides

Crystal anharmonicity in Li(H,D) and Na(H,D) systems

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