Publikationen AK Weihrich

41. F. Bachhuber, I. Anusca, J. Rothballer, F. Pielnhofer, P. Peter, R. Weihrich
    Is Tl2Ni3S2 a mixed valent compound? Crystal and electronic structure investigations
    Solid State Sci.13, 2011, 337-343.
42. F. Pielnhofer, F. Bachhuber, J. Rothballer, R. Weihrich
    Mercury-ordering in Hg3S2Cl2 polymorphs
    IUCr2011, 2011, book of abstracts.
     
43. F. Bachhuber, J. Rothballer, F. Pielnhofer and R. Weihrich
    DFT studies on stability and ordering of mixed dipnictide compounds
    Acta Cryst., 2011. A67, C685-C686
     
44. F. Pielnhofer, F. Bachhuber, J. Rothballer and R. Weihrich
    Mercury-ordering in Hg3S2Cl2 polymorphs
    Acta Cryst., 2011. A67, C686
     
45. J. Rothballer, F. Pielnhofer, F. Bachhuber and R. Weihrich
    Extending the concept of half antiperovskites
    Acta Cryst., 2011. A67, C645
46.  J. Rothballer, F. Pielnhofer, P. Peter, F. Bachhuber, R. Weihrich
    Modelling of Ordered Pyrite Type Compounds
    MSSC2011 - Ab initio Modelling in Solid State Chemistry, 2011
47. R. Weihrich, S. F. Matar, V. Eyert, I. Anusca, F. Bachhuber, S. Seidlmayer
    Bi2Pd3S2-xSex and the relation of Pd site ordering and superconductivity
     J. Solid State Chem., 2011, 184, 797-804
48. Biegerl, Ch. Gröger, H. R. Kalbitzer, A. Pfitzner, J. Wachter, R. Weihrich, M. Zabel
    Structures, spectroscopic studies and solid-state thermal transformations of coordination polymers from P4Se3 and CuX (X=Cl, Br, I)
    J. Solid State Chem. 2011,184 ,1719-25.
     
49. T. Rödl, R. Weihrich, J. Wack, J. Senker, A. Pfitzner
    Rational Syntheses and Structural Characterization of Sulfur-Rich Phosphorus Polysulfides – a-P2S7 and ß-P2S7
    Angew. Chem. Int. Ed., 2011, 50, 10996-11000
     
50. F. Bachhuber, J. Rothballer, F. Pielnhofer, R. Weihrich
    First principles calculations on structure, bonding, and vibrational frequencies of SiP2
    J. Chem. Phys., 2011, 135, 124508.
     
51. O. Osters, T. Nilges, R. Weihrich, F. Bachhuber, F. Pielnhofer, M. Schöneich, P. Schmidt
    Synthesis and identification of metastable compounds: black arsenic – science or fiction?
    Angew. Chem., 2012, Angew. Chem. Int. Ed., 2012, 51, 2994-7.
     
52. O. Osters, T. Nilges, M. Schöneich, P. Schmidt, J. Rothballer, F. Pielnhofer, R. Weihrich
    Cd4Cu7As, the First Representative of a Fully Ordered, Orthorhombically Distorted MgCu2 Laves Phase.
    Inorg. Chem., 2012, 51, 8119–8127.
     
53. P. Schmidt, M. Schöneich, T. Nilges R. Weihrich
    Identification of Metastable States in Heterogeneous Phase Formation
    Z. Anorg. Allg. Chem., 2012, 638, 1633
     
54. F. Bachhuber, J. Rothballer, T. Söhnel, R. Weihrich
    DFT Calculations on Pn Site Ordering in Dipnictides PtPnPn,
    Z. Anorg. Allg. Chem., 2012, 638, 1612
     
55. F. Pielnhofer, F. Bachhuber, P. Schmidt, T. Nilges, R. Weihrich
    Mit DFT-Modellierungen zu neuen Polyanionenverbindungen
    Z. Anorg. Allg. Chem., 2012, 638, 1634
     

56. S. Huber, Ch. Preitschaft, R. Weihrich, A. Pfitzner
    Preparation, Crystal Structure, Electronic Structure, Impedance Spectroscopy and Raman Spectroscopy of Li3SbS3 and Li3AsS3
    Z. Anorg. Allg. Chem. 2012, 638, 2542-2548 DOI: 10.1002/zaac.201200277.

57. Rothballer, F. Bachhuber, F. Pielnhofer, S. M. Schappacher, R. Pöttgen, R. Weihrich
    Effect of In–Sn Ordering on Semiconducting Properties in InSnCo3S2 – X-ray, 119Sn Mößbauer Spectroscopy, and DFT Studies
    J. Europ. Inorg. Chem., 2013, Issue 2, 248–255, DOI: 10.1002/ejic.201200892.
58. M. Zoppi, L. Bindi , T. Rödl, F. Pielnhofer, R. Weihrich, A. Pfitzner, P. Bonazzi,
    Light-induced structural changes in (HgBr2)3(As4S4)2: An X-ray
    single-crystal diffraction, Raman spectroscopy and ab initio study
    Solid State Sciences, 2013,23, 88-95
     

18. S. Seidlmayer, R. Weihrich, A. Pfitzner: Synthese und Kristallstruktur von AgScP2Se6
    Z. Anorg. Allg. Chem. 632 (2006) 2122.
19. R. Weihrich, I. Anusca: Halbantiperowskite II: zur Struktur des Pd3Bi2S2.
    Z. Anorg. Allg. Chem. 632 (2006) 335.
20. R. Weihrich, I. Anusca:
    Half Antiperovskites III: crystallographic and electronic structure effects in Co-Shandites. Z. Anorg. Allg. Chem. 632 (2006) 1531.
21. R. Weihrich, I. Anusca:
    Mischkristallreihen in Parkeriten. Z. Anorg. Allg. Chem. 632 (2006) 2132.
22. R. Weihrich: Strukturmodellierung und Dichtetopologie,
    Z. Anorg. Allg. Chem. 632 (2006) 2081.
23. R. Weihrich, S. F. Matar, V. Eyert, F. Rau, M. Zabel, M. Andratschke, I. Anusca, Th. Bernert Structure, ordering, and bonding of half antiperovskites: PbNi3/2S and BiPd3/2S, Prog. Solid State Chem. 35 (2007) 309-20.
24. R. Weikl, T. Merz, R. Weihrich: Ist Tl2Ni3S2 gemischt valent?
    Z. Anorg. Allg. Chem. 634 (2008) 2088.
25. T. Merz, R. Weikl, R. Weihrich: Elektrische Feldgradienten für In in In2Ni3S2 und NiIn
    Z. Anorg. Allg. Chem. 634 (2008) 2061.
26. R. Weihrich: From mineral X to spintronics. Z. Anorg. Allg. Chem. 634 (2008) 2023.
27. M. Meier, R. Weihrich:
    DFT modelling of IR- and Raman spectra of pyrite type MP2 (M = Si, Pt).
    Chem. Phys. Lett. 461 (2008) 38-41.
28. S. Lange, M. Bawohl, R. Weihrich, T. Nilges
    Mineralization routes to polyphosphides: Cu2P20 and Cu5InP16
    Angew. Chem. 120 (2008) 5736-8.
29. Anusca, A. Schmid, Ph. Peter, J. Rothballer, F. Pielnhofer, R. Weihrich: Half antiperovskites IV: Crystallographic and Electronic Structure Investigations on A2Rh3S2 (A = In, Sn, Pb, Tl). Z. Anorg. Allg. Chem. 635 (2009) 2410-2428.
30. M. Holder, Yu. S.Dedkov, A.Kade, H.Rosner, W. Schnelle, A. Leithe- Jasper, R. Weihrich, S. L. Molodtsov; Photoemission study of electronic structure of half-metallic ferromagnet shandite Sn2Co3S2; Phys. Rev. B 79 (2009) 205116-9.
31. T. Nilges, S. Lange, M. Bawohl, J.-M. Deckwart, H.-D. Wiemhöfer, R. Decourt, B. Chevalier, J. Vannahme, H. Eckert, R. Weihrich: Ag10Te4 Br3: A potential one-compound-transistor material; Nat. Mater. 8 (2009) 101-8.
32. R. Weihrich, S. Lange, T. Nilges: Chemical bonding and Mößbauer spectroscopic investigations on ternary polyphosphides AgSbP14, [Ag3Sn]P7 and [Au3Sn]P7
    Solid State Sci. 11 (2009) 519-27.
33. H. Kohlmann, N. Kurtzemann, R. Weihrich, T. Hansen:
    In situ Neutron Powder Diffraction on Intermediate Hydrides of MgPd3 in a Novel Sapphire Gas Pressure Cell. Z. Anorg. Allg. Chem. 635 (2009) 2399-2405.
34. G. Balazs, A. Biegerl, C. Groger, J. Wachter, R. Weihrich, M. Zabel:
    Theoretical and Spectroscopic Investigation of Coordination Compounds from P4S3, Copper(I) Iodide and W(CO)5. Eur. J. Inorg. Chem. (2010) 1231-1237.
35. T. Nilges, O.Osters, M.Bawohl, J.-L.Bobet, B.Chevalier, R.Decourt, R.Weihrich: Reversible Property Switching, Thermoelectric Performance, and d10-d10 Interactions in Ag5Te2Cl. Chem. Mater. 22 (2010) 2946-54.
36. T. Nilges, O. Osters, P Schmidt, M. Schönreich, R. Weihrich, F. Bachhuber: Untersuchungen zur Bildung von schwarzem Arsen, Z. Anorg. Allg. Chem.636 (2010) 2043.
37. F. Bachhuber, R. Weihrich, First principles calculations on P and As compounds, SPP1415 Annual Meeting (2010) Book of Abstracts.
38. F. Bachhuber, J. Rothballer, F. Pielnhofer, R. Weihrich: DFT-Studien zu SiP2-xAsx,
    Z. Anorg. Allg. Chem. 636 (2010) 2043.
39. R. Weihrich: Das Konzept geordneter Halbantiperowskite mit Strukturmodellierung, Hyperfeinwechselwirkungen und Spintronik-Eigenschaften,
    Habilitationsschrift, Regensburg (2010).
40. S. Seidlmayer, F. Bachhuber, I. Anusca, J. Rothballer, M. Bräu, P. Peter, R. Weihrich: Half antiperovskites: V. Systematics in ordering and group-subgroup-relations for PbPd3/2Se, BiPd3/2Se, and BiPd3/2S. Z Krist. 225 (2010) 371-381.

1. 1. R. Weihrich: Kristallographische und elektronische Struktur der Shandite. Diplomarbeit, Regensburg (1999).
2. R. Weihrich: Shandit, Parkerit und verwandte Verbindungen: ab initio DFT Rechnungen und experimentelle Untersuchungen zu Struktur, Stabilität und Eigenschaften. Dissertation, Regensburg, (2002).
3. C. A. Stückl, F. Rau, R. Weihrich
   Charge transfer and chemical hardness along a substitution path in metastable Au-Sb alloys. Z. Anorg. Allg. Chem. 629 (2003) 1812.
4. R. Weihrich, S. F. Matar, E. Betranhandy
   In search of new candidates for ultra-hard materials: the ternary BC3N3 stoichiometry. J. Phys. Chem. Solids 64 (2003) 1539-1545. ICTMC13, Paris 2002.
5. R. Weihrich, S. F. Matar, E. Betranhandy, V. Eyert
   A model study for the breaking of N2 from CNx within DFT.
   Solid State Sci. 5 (2003) 701
6. R. Weihrich, V. Eyert, S. F. Matar: Structure and electronic properties of new model dinitride systems: a density-functional study of CN2, SiN2, and GeN2.
   Chem. Phys. Lett. 373 (2003) 636-641. Preprint Archive, Cond. Matter (2003).
7. R. Weihrich, M. H. Limage, S. F. Parker, F. Fillaux
   Proton tunnelling in the intramolecular hydrogen bond of 9-Hydroxyphenalenone. J. Molecul. Struct. 700 (2004) 147.
8. E. Betranhandy, S. F. Matar, R. Weihrich, G. Demazeau
   Potential new candidates for hard materials within the ternary XC3N3 (X = B, Al, Ga) stoichiometry. Compt. Rend. Chim. 7 (2004) 529.
9. S. F. Matar, R. Weihrich, D. Kurowski, A. Pfitzner
   DFT calculations on the electronic structure of CuTe2 and Cu7Te4.
   Solid State Sci. 6 (2004) 15.
10. R. Weihrich, D. Kurowski, A. C. Stückl, S. F. Matar, F. Rau, T. Bernert
    On the ordering in new low gap semiconductors: PtSnS, PtSnSe, PtSnTe. Experimental and DFT studies. J. Solid State Chem. 177 (2004) 2591.
11. E. Betranhandy, S. F. Matar, Ch. El-Kfoury, R. Weihrich, J. Etourneau
    Interplay of Electronic structure and bulk properties in 2D and 3D Ternary Carbonitrides from First Principles. Z. Anorg. Allg. Chem. 630 (2004) 2587.
12. R. Weihrich, I. Anusca, M. Zabel:
    Geordnet teilbesetzte Antiperowskite. Z. Anorg. Allg. Chem. 630 (2004) 1767.
13. R. Weihrich, A. C. Stückl, M. Zabel, W. Schnelle: Magnetischer Phasenübergang des Co-Shandit. Z. Anorg. Allg. Chem. 630 (2004) 1767.
14. S. Matar, M.A. Subramania, R. Weihrich: Ab initio investigation of the magnetic states of Ca2MnO4 and Ca2MnO3.5. Chem. Phys. 310 (2005) 231-238.
15. S. F. Matar, R. Weihrich, D. Kurowski, A. Pfitzner, V. Eyert
    Electronic structure of the antiferromagnetic semiconductor MnSb2S4
    Phys. Rev. B 71 (2005) 235027-1.
16. Weihrich, R.; Anusca, I.; Zabel, M.
    Halbantiperowskite: zur Struktur der Shandite und ihren Typ-Antitypbeziehungen.
    Z. Anorg. Allg. Chem. 631 (2005) 1463.
17. H. Rosner, R. Weihrich, W. Schnelle, Ferromagnetic ordering and halfmetallic state in a shandite: Co3Sn2S2. Am. Phys. Soc. APS Meeting, March 21-25 (2005) abstract #D9.014.
    

ECSSC, Madrid (E), 1999: Elektronic and crystal structures of shandites

DFT2001, Wien (A), 2001: Bonding and charge transfer in AuSb2, SiP2, FeS2 - a Bader AIM charge density analysis.

ICTMC 13, Paris (F), 2002: Novel ultra hard B-C-N materials.

Angstrom Laboratoriel, Uppsala (Sweden), 2002: Ultra hard B-C-N materials.

MPI-CPfS, Dresden (D), 2002: Structure and bonding in ultra hard B-C-N materials.

Hydrogen bond meeting Berlin (D), 2003: Proton tunnelling in 9-HPLN from INS data.

LOCNET final meeting & NATO conference on energy localisation Erice (I), 2003: Proton dynamics in 9-HPLN from INS, IR and Raman data.

Sigma-Aldrich meeting on advanced materials 2004, Münster (D): Electronic and magnetic structure of half antiperovskites.

Hemdsärmelkolloquium Münster 2004: Structure and Ordering in PtSnS, PtSnSe, PtSnTe.

12th conference of the GDCh devision for Solid State Chemistry and Material Research "Structure-Property-Relations" 2004, Marburg: Half Antiperovskites - crystal structure relations and magnetic phase transition.

Hemdsärmelkolloquium, Regensburg 2005: HAP & TAP (type-antitype relations)

EMPA, Perovskites - Properties and Potential Applications, Dübendorf (Switzerland), September 05-07, 2005.

Hemdsärmelkolloquium, Kiel 2006

GDCh Festkörpertagung, Aachen 2006: Magnetismus der Co-Shandite

MSSC 2007, Turin (I), Vibrational spectroscopy and DFT modelling

SCTE 2008, Dresden, HAP concept and magnetism of Sn2Co3S2

ECDM5  2008, Como, European charge density meeting

Solid State Chemistry Conference, Puerto Morelos, Mexico, 2009

ECSSC XII, Münster, 2009

CDT Gießen 2010

GDCh Festkörpertagung Berlin 2010

CDT Mainz 2011

MSSC 2011 Turin (I)