Quanty - documentation:language_reference:objects:tightbinding:properties
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2026-04-17T21:49:48+00:00Quanty
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https://www.quanty.org/_media/wiki/dokuwiki.svgtext/html2025-11-20T03:20:22+00:00Anonymous (anonymous@undisclosed.example.com)Atoms
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/atoms?rev=1763608822&do=diff
Atoms
TB.Atoms: a list of atoms, their positions within the unit cell and their atomic shells (spin-orbitals). Each element has the format {Atom.Name, Atom.Position, {Atom.Shells}}. The Atom.Shells can be a list of atomic shell with arbitrary number of orbitals, including or not including spin. For example: {properties indextext/html2025-11-20T03:20:24+00:00Anonymous (anonymous@undisclosed.example.com)Cell
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/cell?rev=1763608824&do=diff
Cell
TB.Cell: {a,b,c} defining the unit cell of the system. a, b and c are vectors of length 3 and define the uni-cell vectors.
Example
A simple example:
Input
-- set parameters
dAB = 0.2
tnn = 1.1
-- create the tight binding Hamiltonian
HTB = NewTightBinding()
HTB.Name = "dichalcogenide tight binding"
HTB.Cell = {{sqrt(3),0,0},
{sqrt(3/4),3/2,0},
{0,0,1}}
HTB.Atoms = { {"A", {0,0,0}, {{"p", {"0"}}}},
{"B", {sqrt(3),1,0}, {{"p", {"0"}}}}}
HTB.Hoppi…text/html2025-11-20T03:20:21+00:00Anonymous (anonymous@undisclosed.example.com)Hk
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/hk?rev=1763608821&do=diff
Hk
alligned paragraph text
Example
description text
Input
-- some example code
Result
text produced as output
Table of contents
properties indextext/html2025-11-20T03:20:24+00:00Anonymous (anonymous@undisclosed.example.com)Hopping
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/hopping?rev=1763608824&do=diff
Hopping
TB.Hopping: A list of local and non-local hoppings among atomic shells. Each element has the format {Atom1.Shell_i, Atom2.Shell_j, {a,b,c}, T}, where here {a,b,c} is the distance between the two atoms and T is an array defines the hopping matrix elements among the spin-orbitals of Atom1.Shell_i and Atom1.Shell_j . (in second-quantization language: $ \Sigma t_{\sigma, \sigma'} a^{\dagger}_{\sigma} a_{\sigma'} $properties indextext/html2025-11-20T03:20:22+00:00Anonymous (anonymous@undisclosed.example.com)Name
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/name?rev=1763608822&do=diff
Name
TB.Name: a string
Example
A simple example:
Input
-- set parameters
dAB = 0.2
tnn = 1.1
-- create the tight binding Hamiltonian
HTB = NewTightBinding()
HTB.Name = "dichalcogenide tight binding"
HTB.Cell = {{sqrt(3),0,0},
{sqrt(3/4),3/2,0},
{0,0,1}}
HTB.Atoms = { {"A", {0,0,0}, {{"p", {"0"}}}},
{"B", {sqrt(3),1,0}, {{"p", {"0"}}}}}
HTB.Hopping = {{"A.p","A.p",{ 0, 0,0},{{-dAB/2}}},
{"B.p","B.p",{ 0, 0,0},{{ d…text/html2025-11-20T03:20:24+00:00Anonymous (anonymous@undisclosed.example.com)NAtoms
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/natoms?rev=1763608824&do=diff
NAtoms
TB.NAtoms: number of atoms in TB.Atoms
Example
A small example:
Input
-- set parameters
dAB = 0.2
tnn = 1.1
-- create the tight binding Hamiltonian
HTB = NewTightBinding()
HTB.Name = "dichalcogenide tight binding"
HTB.Cell = {{sqrt(3),0,0},
{sqrt(3/4),3/2,0},
{0,0,1}}
HTB.Atoms = { {"A", {0,0,0}, {{"p", {"0"}}}},
{"B", {sqrt(3),1,0}, {{"p", {"0"}}}}}
HTB.Hopping = {{"A.p","A.p",{ 0, 0,0},{{-dAB/2}}},
{"B.p","B.p",{ …text/html2025-11-20T03:20:23+00:00Anonymous (anonymous@undisclosed.example.com)NF
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/nf?rev=1763608823&do=diff
NF
TB.NF: number of fermionic modes
Example
A simple example:
Input
-- set parameters
dAB = 0.2
tnn = 1.1
-- create the tight binding Hamiltonian
HTB = NewTightBinding()
HTB.Name = "dichalcogenide tight binding"
HTB.Cell = {{sqrt(3),0,0},
{sqrt(3/4),3/2,0},
{0,0,1}}
HTB.Atoms = { {"A", {0,0,0}, {{"p", {"0"}}}},
{"B", {sqrt(3),1,0}, {{"p", {"0"}}}}}
HTB.Hopping = {{"A.p","A.p",{ 0, 0,0},{{-dAB/2}}},
{"B.p","B.p",{ 0…text/html2025-11-20T03:20:23+00:00Anonymous (anonymous@undisclosed.example.com)ReciprocalCell
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/reciprocalcell?rev=1763608823&do=diff
ReciprocalCell
TB.ReciprocalCell: {a,b,c} the reciprocal cell, satisfying the condition $\vec{r}\cdot\vec{g}=2\pi$, where $\vec{r}$ are the unit-cell vectors and $\vec{g}$ are the reciprocal-cell vectors.
Example
A small example:
Input
-- set parameters
dAB = 0.2
tnn = 1.1
-- create the tight binding Hamiltonian
HTB = NewTightBinding()
HTB.Name = "dichalcogenide tight binding"
HTB.Cell = {{sqrt(3),0,0},
{sqrt(3/4),3/2,0},
{0,0,1}}
HTB.Atoms = { {"A", {0,0,0}, {{"p…text/html2025-11-20T03:20:23+00:00Anonymous (anonymous@undisclosed.example.com)Properties
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/start?rev=1763608823&do=diff
Properties
Tight Binding objects have the following standard properties:
Name: a stringCell: {a,b,c} defining the unit cell of the system. a, b and c are vectors of length 3 and define the uni-cell vectors.ReciprocalCell: {a,b,c} the reciprocal cell, satisfying the condition $\vec{r}\cdot\vec{g}=2\pi$$\vec{r}$$\vec{g}$$ \Sigma t_{\sigma, \sigma'} a^{\dagger}_{\sigma} a_{\sigma'} $$\vec{r}\cdot\vec{g}=2\pi$$\vec{r}\cdot\vec{g}=1$properties indextext/html2025-11-20T03:20:22+00:00Anonymous (anonymous@undisclosed.example.com)Units
https://www.quanty.org/documentation/language_reference/objects/tightbinding/properties/units?rev=1763608822&do=diff
Units
TB.Units: {Units[1], Units[2], Units[3]}
The Units property is a list of three strings with the following components:
Units[1]: Sets the scaling for the reciprocal lattice, e.g., $\vec{r}\cdot\vec{g}=2\pi$ for “2Pi” or $\vec{r}\cdot\vec{g}=1$ for “NoPi”. (standard value “2Pi”)properties index