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Electronic structure of the misfit layer compound (LaS)(1.14)NbS2: Band-structure calculations and photoelectron spectra

Autor: Fang, Cm, Vansmaalen, S., Wiegers, Ga, Haas, C., Degroot, Ra

Publikováno v: Journal of Physics%3A Condensed Matter, 8(29), 5367-5382. IOP PUBLISHING LTD
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In order to understand the electronic structure of the misfit layer compound (LaS)(1.14)NbS2 we carried out an ab initio band-structure calculation in a supercell approximation. The band structure is compared with that of the components NbS2 and LaS.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::ec1c210f479a486a70f4a340c1a77cf4
https://research.rug.nl/en/publications/397ad455-c136-4fb2-87ef-9fe017b0b508

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Electronic structure of Li12Si7

Autor: vanLeuken, H, deWijs, GA, vanderLugt, W, deGroot, RA, Leuken, H. van, Wijs, G.A. de

Publikováno v: Physical Review B, 53(16), 10599-10604. AMER PHYSICAL SOC

Ab initio localized-spherical-wave calculations on crystalline Li12Si7 are reported. The crystal consists of two one-dimensional units, (Li6Si5)(infinity) and (Li12Si4)(infinity), that contain five-membered Si rings and four-membered Si stars, respec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=narcis______::f7d7d09f89cc04f29e581cabae5300c8
https://research.rug.nl/en/publications/2ae4c28b-65f7-4848-9dc8-734d8c386b18

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Electronic structure of the misfit layer compound (SnS)(1.20)TiS2: Band structure calculations and photoelectron spectra

Autor: Fang, C. M., Hettema, A. R. H. F., Haas, C., Wiegers, G. A., Van Leuken, H., deGroot, RA

Publikováno v: Journal of Physics-Condensed Matter, 8(11), 1663-1676. IOP PUBLISHING LTD

In order to understand the electronic structure of the incommensurate misfit layer compound (SnS)(1.20)TiS2 we carried out an ab initio band structure calculation in the supercell approximation. The band structure is compared with that of the compone

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=narcis______::92c11168f394b43dc1d7d5b809ab1163
https://research.rug.nl/en/publications/1807ffbc-318e-425a-ad74-9e1ae524a1e6

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GROMACS - A PARALLEL COMPUTER FOR MOLECULAR-DYNAMICS SIMULATIONS

Autor: BEKKER, H, BERENDSEN, HJC, DIJKSTRA, EJ, ACHTEROP, S, VONDRUMEN, R, VANDERSPOEL, D, SIJBERS, A, Keegstra, H, RENARDUS, MKR, DeGroot, RA, Nadrchal, J

Publikováno v: PHYSICS COMPUTING '92, 252-256
STARTPAGE=252;ENDPAGE=256;TITLE=PHYSICS COMPUTING '92

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=narcis______::9540f07812baf3b07e914bc4b37547b7
https://research.rug.nl/en/publications/84ef8765-003b-421d-b570-b9c5a3f78a9b

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GROMACS METHOD OF VIRIAL CALCULATION USING A SINGLE SUM

Autor: BEKKER, H, BERENDSEN, HJC, DIJKSTRA, EJ, ACHTEROP, S, VONDRUMEN, R, SIJBERS, A, Keegstra, H, RENARDUS, MKR, VANDERSPOEL, D, DeGroot, RA, Nadrchal, J

Publikováno v: PHYSICS COMPUTING '92, 257-261
STARTPAGE=257;ENDPAGE=261;TITLE=PHYSICS COMPUTING '92

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=narcis______::41eb160be7265ac86d4ff7bec5a35138
https://research.rug.nl/en/publications/a29ddd10-cad3-428c-88a5-e32f97b53a4a

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GEOMETRY AND FIELD-DEPENDENCE OF THE FERMI-SURFACE IN TIBE2 STUDIED WITH THE DHVA EFFECT IN FIELDS UP TO 35-T

Autor: VANRUITENBEEK, JM, VANDEURSEN, APJ, SCHREURS, LWM, DEGROOT, RA, DEVROOMEN, AR, FISK, Z, SMITH, JL

Publikováno v: VANRUITENBEEK, JM; VANDEURSEN, APJ; SCHREURS, LWM; DEGROOT, RA; DEVROOMEN, AR; FISK, Z; et al.(1984). GEOMETRY AND FIELD-DEPENDENCE OF THE FERMI-SURFACE IN TIBE2 STUDIED WITH THE DHVA EFFECT IN FIELDS UP TO 35-T. JOURNAL OF PHYSICS F-METAL PHYSICS, 14(11), 2555-2569. doi: 10.1088/0305-4608/14/11/013. UC Irvine: Retrieved from: http://www.escholarship.org/uc/item/7890d2hj

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______325::53387e5426afba5a4044b287ddd99469
http://www.escholarship.org/uc/item/7890d2hj

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