2020-05-29 15:55:52 +03:00
|
|
|
#LyX 2.4 created this file. For more info see https://www.lyx.org/
|
|
|
|
\lyxformat 584
|
|
|
|
\begin_document
|
|
|
|
\begin_header
|
|
|
|
\save_transient_properties true
|
|
|
|
\origin unavailable
|
|
|
|
\textclass article
|
|
|
|
\use_default_options true
|
|
|
|
\maintain_unincluded_children false
|
|
|
|
\language finnish
|
|
|
|
\language_package default
|
|
|
|
\inputencoding utf8
|
|
|
|
\fontencoding auto
|
|
|
|
\font_roman "default" "default"
|
|
|
|
\font_sans "default" "default"
|
|
|
|
\font_typewriter "default" "default"
|
|
|
|
\font_math "auto" "auto"
|
|
|
|
\font_default_family default
|
|
|
|
\use_non_tex_fonts false
|
|
|
|
\font_sc false
|
|
|
|
\font_roman_osf false
|
|
|
|
\font_sans_osf false
|
|
|
|
\font_typewriter_osf false
|
|
|
|
\font_sf_scale 100 100
|
|
|
|
\font_tt_scale 100 100
|
|
|
|
\use_microtype false
|
|
|
|
\use_dash_ligatures true
|
|
|
|
\graphics default
|
|
|
|
\default_output_format default
|
|
|
|
\output_sync 0
|
|
|
|
\bibtex_command default
|
|
|
|
\index_command default
|
|
|
|
\paperfontsize default
|
|
|
|
\use_hyperref false
|
|
|
|
\papersize default
|
|
|
|
\use_geometry false
|
|
|
|
\use_package amsmath 1
|
|
|
|
\use_package amssymb 1
|
|
|
|
\use_package cancel 1
|
|
|
|
\use_package esint 1
|
|
|
|
\use_package mathdots 1
|
|
|
|
\use_package mathtools 1
|
|
|
|
\use_package mhchem 1
|
|
|
|
\use_package stackrel 1
|
|
|
|
\use_package stmaryrd 1
|
|
|
|
\use_package undertilde 1
|
|
|
|
\cite_engine basic
|
|
|
|
\cite_engine_type default
|
|
|
|
\use_bibtopic false
|
|
|
|
\use_indices false
|
|
|
|
\paperorientation portrait
|
|
|
|
\suppress_date false
|
|
|
|
\justification true
|
|
|
|
\use_refstyle 1
|
|
|
|
\use_minted 0
|
|
|
|
\use_lineno 0
|
|
|
|
\index Index
|
|
|
|
\shortcut idx
|
|
|
|
\color #008000
|
|
|
|
\end_index
|
|
|
|
\secnumdepth 3
|
|
|
|
\tocdepth 3
|
|
|
|
\paragraph_separation indent
|
|
|
|
\paragraph_indentation default
|
|
|
|
\is_math_indent 0
|
|
|
|
\math_numbering_side default
|
|
|
|
\quotes_style english
|
|
|
|
\dynamic_quotes 0
|
|
|
|
\papercolumns 1
|
|
|
|
\papersides 1
|
|
|
|
\paperpagestyle default
|
|
|
|
\tablestyle default
|
|
|
|
\tracking_changes false
|
|
|
|
\output_changes false
|
|
|
|
\html_math_output 0
|
|
|
|
\html_css_as_file 0
|
|
|
|
\html_be_strict false
|
|
|
|
\end_header
|
|
|
|
|
|
|
|
\begin_body
|
|
|
|
|
|
|
|
\begin_layout Standard
|
|
|
|
|
|
|
|
\lang english
|
|
|
|
\begin_inset FormulaMacro
|
|
|
|
\newcommand{\vect}[1]{\mathbf{#1}}
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\lang finnish
|
|
|
|
|
|
|
|
\begin_inset FormulaMacro
|
|
|
|
\newcommand{\Kambe}[1]{#1^{\mathrm{K}}}
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\begin_inset FormulaMacro
|
|
|
|
\newcommand{\Linton}[1]{#1^{\mathrm{L}}}
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Standard
|
|
|
|
Here and in Kambe's papers,
|
|
|
|
\begin_inset Formula $\kappa$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
is the wavenumber (
|
|
|
|
\begin_inset Formula $k$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
in Linton).
|
|
|
|
Here
|
|
|
|
\begin_inset Formula $\vect K_{p}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
is a point of the reciprocal lattice (
|
|
|
|
\begin_inset Formula $\vect K_{p}=\Kambe{\vect K_{pt}}=\Linton{\vect{\beta}_{\mu}}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
)
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Section
|
|
|
|
\begin_inset Quotes eld
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
Gammas
|
|
|
|
\begin_inset Quotes erd
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Standard
|
|
|
|
For
|
|
|
|
\begin_inset Formula $\kappa$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
positive,
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Standard
|
|
|
|
\begin_inset Formula
|
|
|
|
\[
|
|
|
|
\Kambe{\Gamma_{p}}\equiv\begin{cases}
|
|
|
|
\sqrt{\kappa^{2}-\left|\vect K_{p}\right|^{2}} & \kappa^{2}-\left|\vect K_{p}\right|^{2}>0\\
|
|
|
|
i\sqrt{\left|\vect K_{p}\right|^{2}-\kappa^{2}} & \kappa^{2}-\left|\vect K_{p}\right|^{2}<0
|
|
|
|
\end{cases}
|
|
|
|
\]
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\begin_inset Formula
|
|
|
|
\[
|
|
|
|
\Linton{\gamma_{\mu}}\equiv\begin{cases}
|
|
|
|
\sqrt{\left(\frac{\vect K_{p}}{\kappa}\right)^{2}-1} & \kappa-\left|\vect K_{p}\right|\le0\\
|
|
|
|
-i\sqrt{1-\left(\frac{\vect K_{p}}{\kappa}\right)^{2}} & \kappa-\left|\vect K_{p}\right|>0
|
|
|
|
\end{cases}
|
|
|
|
\]
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
hence
|
|
|
|
\begin_inset Formula
|
|
|
|
\[
|
|
|
|
\Kambe{\Gamma_{p}}=-i\kappa\Linton{\gamma_{\mu}},
|
|
|
|
\]
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Standard
|
|
|
|
\begin_inset Formula
|
|
|
|
\[
|
|
|
|
\Linton{\gamma_{\mu}}=i\frac{\Kambe{\Gamma_{p}}}{\kappa}.
|
|
|
|
\]
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Section
|
|
|
|
D vs sigma
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Standard
|
|
|
|
In-plane sums [Linton 2009, (4.5)], replacing
|
|
|
|
\begin_inset Formula $n,m\rightarrow L,M$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
,
|
|
|
|
\begin_inset Formula $k\rightarrow\kappa$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Standard
|
|
|
|
|
|
|
|
\lang english
|
|
|
|
\begin_inset Formula
|
|
|
|
\begin{eqnarray*}
|
|
|
|
\sigma_{L}^{M(1)} & = & -\frac{i^{L+1}}{2\kappa^{2}\mathscr{A}}\left(-1\right)^{\left(L+M\right)/2}\sqrt{\left(2L+1\right)\left(L-M\right)!\left(L+M\right)!}\times\\
|
|
|
|
& & \times\sum_{\vect K_{pq}\in\Lambda^{*}}^{'}\sum_{j=0}^{\left[\left(L-\left|M\right|/2\right)\right]}\frac{\left(-1\right)^{j}\left(\beta_{pq}/2\kappa\right)^{L-2j}e^{iM\phi_{\vect{\beta}_{pq}}}\Gamma_{j,pq}}{j!\left(\frac{1}{2}\left(L-M\right)-j\right)!\left(\frac{1}{2}\left(L+M\right)-j\right)!}\left(\frac{\gamma_{pq}}{2}\right)^{2j-1}
|
|
|
|
\end{eqnarray*}
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
[Kambe II, (3.17)], replacing
|
|
|
|
\lang finnish
|
|
|
|
|
|
|
|
\begin_inset Formula $n\rightarrow j$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\lang english
|
|
|
|
,
|
|
|
|
\lang finnish
|
|
|
|
|
|
|
|
\begin_inset Formula $A\rightarrow\mathscr{A}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
,
|
|
|
|
\begin_inset Formula $\vect K_{pt}\to\vect K_{p}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
,
|
|
|
|
\begin_inset Formula $\Gamma\left(\frac{1}{2}-j,e^{-i\pi}\Gamma_{p}^{2}\omega/2\right)\to\Gamma_{j,p}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
and performing little typographic modifications
|
|
|
|
\lang english
|
|
|
|
|
|
|
|
\begin_inset Formula
|
|
|
|
\begin{align*}
|
|
|
|
D_{LM} & =-\frac{1}{\mathscr{A}\kappa}i^{\left|M\right|+1}2^{-L}\sqrt{\left(2L+1\right)\left(L+\left|M\right|\right)!\left(L-\left|M\right|\right)!}\times\\
|
|
|
|
& \quad\times\sum_{p}e^{i\vect K_{p}\cdot\vect c_{ijt}}e^{-iM\phi_{K_{p}}}\sum_{j=0}^{\left(L-\left|M\right|\right)/2}\frac{\left(\Gamma_{p}/\kappa\right)^{2j-1}\left(K_{p}/\kappa\right)^{L-2j}\Gamma_{j,p}}{j!\left(\frac{1}{2}\left(L-\left|M\right|\right)-j\right)!\left(\frac{1}{2}\left(L+\left|M\right|\right)-j\right)!}
|
|
|
|
\end{align*}
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
Using the relations between
|
|
|
|
\begin_inset Formula $\Kambe{\Gamma_{p}}=-i\kappa\Linton{\gamma_{\mu}}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
, we have (also, we replace the
|
|
|
|
\begin_inset Formula $\mu$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
index with
|
|
|
|
\begin_inset Formula $p$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
)
|
|
|
|
\begin_inset Formula
|
|
|
|
\begin{align*}
|
|
|
|
D_{LM} & =-\frac{1}{\mathscr{A}\kappa}i^{\left|M\right|+1}2^{-L}\sqrt{\left(2L+1\right)\left(L+\left|M\right|\right)!\left(L-\left|M\right|\right)!}\times\\
|
|
|
|
& \quad\times\sum_{p}e^{i\vect K_{p}\cdot\vect c_{ijt}}e^{-iM\phi_{K_{p}}}\sum_{j=0}^{\left(L-\left|M\right|\right)/2}\frac{\left(-i\gamma_{p}\right)^{2j-1}\left(K_{p}/\kappa\right)^{L-2j}\Gamma_{j,p}}{j!\left(\frac{1}{2}\left(L-\left|M\right|\right)-j\right)!\left(\frac{1}{2}\left(L+\left|M\right|\right)-j\right)!}
|
|
|
|
\end{align*}
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
and now, trying to make the exponents look the same as in Linton,
|
|
|
|
\begin_inset Formula $2^{-1}2^{2j-L}2^{1-2j}=2^{-L}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
(OK),
|
|
|
|
\begin_inset Formula $K_{p}^{L-2j}=K_{p}^{L-2j}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
(OK),
|
|
|
|
\begin_inset Formula
|
|
|
|
\begin{align*}
|
|
|
|
D_{LM} & =-\frac{1}{2\kappa\mathscr{A}}i^{\left|M\right|+1}\sqrt{\left(2L+1\right)\left(L+\left|M\right|\right)!\left(L-\left|M\right|\right)!}\times\\
|
|
|
|
& \quad\times\sum_{p}e^{i\vect K_{p}\cdot\vect c_{ij}}e^{-iM\phi_{K_{p}}}\sum_{j=0}^{\left(L-\left|M\right|\right)/2}\frac{\left(-i\right)^{2j-1}\left(K_{p}/2\kappa\right)^{L-2j}\Gamma_{j,p}}{j!\left(\frac{1}{2}\left(L-\left|M\right|\right)-j\right)!\left(\frac{1}{2}\left(L+\left|M\right|\right)-j\right)!}\left(\frac{\gamma_{p}}{2}\right)^{2j-1}
|
|
|
|
\end{align*}
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
There are now these differences left:
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Itemize
|
|
|
|
|
|
|
|
\lang english
|
|
|
|
Additional
|
|
|
|
\begin_inset Formula $\kappa$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
factor in
|
|
|
|
\begin_inset Formula $D_{LM}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Itemize
|
|
|
|
|
|
|
|
\lang english
|
|
|
|
\begin_inset Formula $i^{L+1}\left(-1\right)^{\left(L+M\right)/2}\left(-1\right)^{j}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
vs.
|
|
|
|
|
|
|
|
\begin_inset Formula $i^{\left|M\right|+1}\left(-i\right)^{2j-1}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Itemize
|
|
|
|
|
|
|
|
\lang english
|
|
|
|
Opposite phase in the angular part.
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Itemize
|
|
|
|
|
|
|
|
\lang english
|
|
|
|
Plane wave factor in
|
|
|
|
\begin_inset Formula $D_{LM}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Standard
|
|
|
|
|
|
|
|
\lang english
|
|
|
|
Let's look at the
|
|
|
|
\begin_inset Formula $i,-1$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
factors (note that
|
|
|
|
\begin_inset Formula $L+M$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
is odd):
|
|
|
|
\begin_inset Formula $\left(-i\right)^{2j}=\left(-1\right)^{j},$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
leaving
|
|
|
|
\begin_inset Formula $i^{L+1}\left(-1\right)^{\left(L+M\right)/2}$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
vs.
|
|
|
|
|
|
|
|
\begin_inset Formula $i^{\left|M\right|+1}i$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
.
|
|
|
|
So there is might be a phase difference due to different conventions, but
|
|
|
|
it does not depend on
|
|
|
|
\begin_inset Formula $j$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
, so one should be able to transplant the
|
|
|
|
\begin_inset Formula $z\ne0$
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
sum from Kambe without major problems.
|
|
|
|
\end_layout
|
|
|
|
|
|
|
|
\begin_layout Section
|
|
|
|
Ewald parameter (integration limits)
|
|
|
|
\end_layout
|
|
|
|
|
2020-06-04 13:39:38 +03:00
|
|
|
\begin_layout Standard
|
|
|
|
\begin_inset Formula
|
|
|
|
\[
|
|
|
|
\Linton{\eta}=\sqrt{\frac{1}{2\Kambe{\omega}}}
|
|
|
|
\]
|
|
|
|
|
|
|
|
\end_inset
|
|
|
|
|
|
|
|
(Based on comparison of some function arguments, not checked.)
|
|
|
|
\end_layout
|
|
|
|
|
2020-05-29 15:55:52 +03:00
|
|
|
\end_body
|
|
|
|
\end_document
|