DOI: 10.1002/pssb.2220430132. Best Localized Symmetry‐Adapted Wannier Functions of the Diamond Structure

Best Localized Symmetry‐Adapted Wannier Functions of the Diamond Structure

10.1002/pssb.2220430132

Crossref journal-article

Wiley

physica status solidi (b) (311)

Abstract

AbstractBy application of proper unitary matrices the four Bloch functions of each bandgroup with equal wave vector k are transformed into modified Bloch functions in such a way that the resulting four sets of Wannier functions are adapted to the tetrahedral symmetry of the lattice. The Wannier functions behave like the “equivalent MO's” of the tight‐binding approximation (but with vanishing non‐orthogonality integrals). Furthermore, we give explicitely those phases of the Bloch functions that lead to best localized Wannier functions. Values of energy matrix elements between these functions are determined for Ge and Si.

Bibliography

Teichler, H. (1971). Best Localized SymmetryâAdapted Wannier Functions of the Diamond Structure. Physica Status Solidi (b), 43(1), 307â318. Portico.

Authors 1

H. Teichler (first)

References 23 Referenced 31

{'key': 'e_1_2_1_2_2', 'volume-title': 'Radiation Effects in Semiconductors', 'author': 'Vook F. L.', 'year': '1968'} / Radiation Effects in Semiconductors by Vook F. L. (1968)
10.1016/S0081-1947(08)60104-6
10.1103/PhysRev.156.860
10.1103/PhysRev.96.1208
10.1002/pssb.19650110227
10.1002/pssb.19650110228
10.1002/pssb.19660130133
10.1007/BF02422537
{'key': 'e_1_2_1_8_2', 'volume-title': 'Gruppentheorie in der Festkörperphysik', 'author': 'Steeitwolf H.‐W.', 'year': '1967'} / Gruppentheorie in der Festkörperphysik by Steeitwolf H.‐W. (1967)
{'key': 'e_1_2_1_9_2', 'first-page': '1305', 'volume': '13', 'author': 'Blount E. J.', 'year': '1962', 'journal-title': 'Solid State Phys.'} / Solid State Phys. by Blount E. J. (1962)
10.1103/PhysRev.129.554
10.1103/PhysRev.178.1189
10.1103/PhysRev.135.A698
10.1103/PhysRev.134.A1337
{'key': 'e_1_2_1_14_2', 'volume-title': 'Matrizenrechnung', 'author': 'Gantmacher F. R.', 'year': '1965'} / Matrizenrechnung by Gantmacher F. R. (1965)
10.1103/PhysRev.135.A685
G.Kögel private communication.
10.1002/pssb.19700380248
{'key': 'e_1_2_1_18_2', 'volume-title': 'Internat. Conf. II‐VI Semiconducting Compounds, Providence', 'author': 'Herman F.', 'year': '1967'} / Internat. Conf. II‐VI Semiconducting Compounds, Providence by Herman F. (1967)
10.1002/qua.560010658 / Internat. J. Quantum Chem. by Hermann F. (1967)
{'key': 'e_1_2_1_20_2', 'first-page': '433', 'volume': '241', 'author': 'Coulson R. A.', 'year': '1967', 'journal-title': 'Proc. Roy. Soc.'} / Proc. Roy. Soc. by Coulson R. A. (1967)
{'key': 'e_1_2_1_21_2', 'first-page': '323', 'volume-title': 'Radiation Damage in Semiconductors', 'author': 'Yamaguchi T.', 'year': '1965'} / Radiation Damage in Semiconductors by Yamaguchi T. (1965)
{'key': 'e_1_2_1_22_2', 'volume-title': 'Radiation Effects in Semiconductors', 'author': 'Herman F.', 'year': '1968'} / Radiation Effects in Semiconductors by Herman F. (1968)

Dates

Type	When
Created	18 years, 1 month ago (July 9, 2007, 8:26 p.m.)
Deposited	1 year, 10 months ago (Oct. 19, 2023, 10:55 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 12:27 p.m.)
Issued	54 years, 7 months ago (Jan. 1, 1971)
Published	54 years, 7 months ago (Jan. 1, 1971)
Published Online	19 years, 6 months ago (Feb. 6, 2006)
Published Print	54 years, 7 months ago (Jan. 1, 1971)

Funders 0

None

BibTeX

@article{Teichler_1971, title={Best Localized Symmetry‐Adapted Wannier Functions of the Diamond Structure}, volume={43}, ISSN={1521-3951}, url={http://dx.doi.org/10.1002/pssb.2220430132}, DOI={10.1002/pssb.2220430132}, number={1}, journal={physica status solidi (b)}, publisher={Wiley}, author={Teichler, H.}, year={1971}, month=jan, pages={307–318} }

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