𝔖 Bobbio Scriptorium
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Self-consistent, non-“muffin-tin” k·p-APW method

✍ Scribed by S.B. Trickey; J.B. Conklin Jr.

Book ID
103765717
Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
152 KB
Volume
32
Category
Article
ISSN
0375-9601

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📜 SIMILAR VOLUMES

Self-Consistent APW–k · p method. I. The
Self-Consistent APW–k · p method. I. Theory
✍ I. C. Da Cunha Lima; A. Ferreira Da Silva; N. J. Parada 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 515 KB

## Abstract A first principles method based on an APW–**k** · **p** band structure calculation is derived in order to obtain the self‐consistent eigenenergies, crystal potential, and electronic density. The simplicity and extensions of the method are discussed, including comparison with the results

Self-Consistent APW–k · p method. II. Ap
Self-Consistent APW–k · p method. II. Application to NaCl
✍ I. C. Da Cunha Lima; A. Ferreira Da Silva; N. J. Parada 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 543 KB

## Abstract The self‐consistent APW–**k · p** method is utilized to obtain the band structure of NaCl in the “muffin‐tin” approximation. Qe have investigated the convergence of many intermediate results, e.g., crystalline potential, matrix elements of the momentum operator, and energy eigenvalues a