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There are different accounts of the rise of Darius to the throne from both Darius himself and Greek historians. The oldest records report a convoluted sequence of events in which Cambyses II lost his mind, murdered his brother Bardiya, and was killed by an infected leg wound. After this, Darius and a group of six nobles traveled to Sikayauvati to kill an usurper, Gaumata, who had taken the throne by pretending to be Bardiya during the true king's absence.

Darius's account, written at the Behistun Inscription, states that Cambyses II killed his own brother Bardiya, but that this murder was not known among the Iranian people. A would-be usurper named Gaumata came and lied to the people, stating that he was Bardiya. The Iranians had grown rebellious against Cambyses's rule and, on 11 March 522 BCE, a revolt against Cambyses broke out in his absence. On 1 July, the Iranian people chose to be under the leadership of Gaumata, as "Bardiya". No member of the Achaemenid family would rise against Gaumata for the safety of their own life. Darius, who had served Cambyses as his lance-bearer until the deposed ruler's death, prayed for aid and, in September 522 BCE, along with Otanes, Intaphrenes, Gobryas, Hydarnes, Megabyzus and Aspathines, killed Gaumata in the fortress of Sikayauvati.

Herodotus provides a dubious account of Darius's ascension: Several days after Gaumata had been assassinated, Darius and the other six nobles discussed the fate of the empire. At first, the seven discussed the form of government: A democratic republic (Isonomia) was strongly pushed by Otanes, an oligarchy was pushed by Megabyzus, while Darius pushed for a monarchy. After stating that a republic would lead to corruption and internal fighting, while a monarchy would be led with a single-mindedness not possible in other governments, Darius was able to convince the other nobles.

To decide who would become the monarch, six of them decided on a test, with Otanes abstaining, as he had no interest in being king. They were to gather outside the palace, mounted on their horses at sunrise, and the man whose horse neighed first in recognition of the rising sun would become king. According to Herodotus, Darius had a slave, Oebares, who rubbed his hand over the genitals of a mare that Darius's horse favored. When the six gathered, Oebares placed his hands beside the nostrils of Darius's horse, who became excited at the scent and neighed. This was followed by lightning and thunder, leading the others to dismount and kneel before Darius in recognition of his apparent divine providence. In this account, Darius himself claimed that he achieved the throne not through fraud, but cunning, even erecting a statue of himself mounted on his neighing horse with the inscription: "Darius, son of Hystaspes, obtained the sovereignty of Persia by the sagacity of his horse and the ingenious contrivance of Oebares, his groom."

According to the accounts of Greek historians, Cambyses II had left Patizeithes in charge of the kingdom when he headed for Egypt. He later sent Prexaspes to murder Bardiya. After the killing, Patizeithes put his brother Gaumata, a Magian who resembled Bardiya, on the throne and declared him the Great King. Otanes discovered that Gaumata was an impostor, and along with six other Iranian nobles, including Darius, created a plan to oust the pseudo-Bardiya. After killing the impostor along with his brother Patizeithes and other Magians, Darius was crowned king the following morning.

The details regarding Darius's rise to power is generally acknowledged as forgery and was in reality used as a concealment of his overthrow and murder of Cyrus's rightful successor, Bardiya. To legitimize his rule, Darius had a common origin fabricated between himself and Cyrus by designating Achaemenes as the eponymous founder of their dynasty. In reality, Darius was not from the same house as Cyrus and his forebears, the rulers of Anshan.